Asperin (CAS 50773-42-7): properties, price, suppliers and safety

What is Asperin?

Plain description, key identifiers and synonyms

Formosanin C has been reported in Ypsilandra thibetica, Paris polyphylla var. chinensis, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CAS number: 50773-42-7
EC number: 683-220-5
Molecular formula: C₅₁H₈₂O₂₀
InChIKey: OZIHYFWYFUSXIS-HDDFSWBLSA-N
InChI: InChI=1S/C51H82O20/c1-20-10-15-51(62-19-20)21(2)32-30(71-51)17-29-27-9-8-25-16-26(11-13-49(25,6)28(27)12-14-50(29,32)7)66-48-44(70-46-39(59)36(56)34(54)23(4)64-46)41(61)43(31(18-52)67-48)69-47-40(60)37(57)42(24(5)65-47)68-45-38(58)35(55)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3/t20-,21+,22+,23+,24+,26+,27-,28+,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,39-,40-,41+,42+,43-,44-,45+,46+,47+,48-,49+,50+,51-/m1/s1
Canonical SMILES: CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)C)C)C)OC1

Synonyms

Formosanin C
Diosgenin 3-O-alpha-rhamnopyranosyl-(1-4)-alpha-rhamnopyranosyl-(1-4)-(alpha-rhamnopyranosyl-(1-2))-beta-glucopyranoside
Paris saponin II
(25R)-Spirost-5-en-3beta-ol 3-O-alpha-L-rhamnopyranosyl-(1-2)-O-[[alpha-L-rhamnopyranosyl-(1-4)]-O-[alpha-L-rhamnopyranosyl-(1-4)]]-beta-D-glucopyranoside
paris II
Formosanin C (Standard)
Pennogenin rahamnosyl chacotrioside
(25R)-diosgenin-3-O-alpha-L-rha-(1->4)-alpha-L-rha-(1->4)-[alpha-L-rha-(1->2)]-beta-D-glc
(25R)-Spirost-5-en-3|A-ol 3-O-|A-L-rhamnopyranosyl-(1-2)-O-[[|A-L-rhamnopyranosyl-(1-4)]-O-[|A-L-rhamnopyranosyl-(1-4)]]-|A-D-glucopyranoside

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	1,015.20 g/molcalc.
Exact mass	1,014.5399 Dacalc.
LogP (octanol/water)	0.09calc.
Topological polar surface area	294.6 Å²calc.
Hydrogen bond donors	10calc.
Hydrogen bond acceptors	20calc.
Rotatable bonds	9calc.
Heavy atoms	71calc.
Rings	10calc.
Aromatic rings	0calc.
Fraction sp3 carbons	0.96calc.
Formal charge	0calc.
Stereocentres	31calc.
Lipinski rule of five	Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

C1=C2CC(OC3OCC(OC4CCC(OC5CCCCO5)CO4)CC3OC3CCCCO3)CCC2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1

10 rings, 53 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Warning

Harmful or irritant

Hazard statements

H302Harmful if swallowed.

Precautionary statements (5)

P264Wash skin thoroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301 + P317If swallowed: Get medical help.
P330Rinse mouth.
P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Asperin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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ChemFaces
China, WuhanUnclaimed profile
AsperinGrade, purity and minimum order on request
Price on request
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Where suppliers are based

1 supplier in 1 country

China1

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Asperin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Asperin is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024

$1.4B

−8.3% vs 2023, imports $1.35B

2019 to 2024

Top exporters

China49.2%
France * partner reported8.9%
Malaysia6.1%

Top importers

United States22.3%
India * partner reported7.8%
Brazil5.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Asperin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

(+)-Dioscin chemical structure, C45H72O16, CAS 19057-60-4

Polyphyllin I chemical structure, C44H70O16, CAS 50773-41-6

Progenin II chemical structure, C39H62O12, CAS 19057-68-2

Prosapogenin A chemical structure, C39H62O12, CAS 19057-67-1

Zingiberensis saponin I chemical structure, C51H82O22, CAS 91653-50-8

Gracillin chemical structure, C45H72O17, CAS 19083-00-2

87% similar

Gracillin19083-00-2C₄₅H₇₂O₁₇4 suppliers

Spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->3)-(pentofuranosyl-(1->4))hexopyranoside chemical structure, C44H70O16, CAS 76296-72-5

Liriope muscari baily saponins C chemical structure, C44H70O16, CAS 87480-46-4

Trillin chemical structure, C33H52O8, CAS 14144-06-0

81% similar

Trillin14144-06-0C₃₃H₅₂O₈2 suppliers

Spirost chemical structure, C39H62O13, CAS 68127-19-5

81% similar

Spirost68127-19-5C₃₉H₆₂O₁₃1 supplier

Same formula isomers

Different compounds that share this molecular formula

All isomers

(3,25R)-Spirost-5-en-3-yl O-6-deoxy--L-mannopyranosyl-(13)-O-[O-6-deoxy--L-mannopyranosyl-(12)-6-deoxy--L-mannopyranosyl-(14)]--D-glucopyranoside chemical structure, C51H82O20

(3,25R)-Spirost-5-en-3-yl O-6-deoxy--L-mannopyranosyl-(13)-O-[O-6-deoxy--L-mannopyranosyl-(12)-6-deoxy--L-mannopyranosyl-(14)]--D-glucopyranosideC₅₁H₈₂O₂₀

Orb1684302 chemical structure, C51H82O20, CAS 76296-73-6

Orb168430276296-73-6C₅₁H₈₂O₂₀

(2R,3S,4R,5S)-2-Methyl-6-[(2R,4S,5R,6R)-2-methyl-6-[(1S,2S,5'R,6R,7S,8R,9S,12S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol76296-74-7C₅₁H₈₂O₂₀

Polyphyllin E (RG) chemical structure, C51H82O20

Polyphyllin E (RG)C₅₁H₈₂O₂₀

Nocturnoside B chemical structure, C51H82O20, CAS 166604-02-0

Nocturnoside B166604-02-0C₅₁H₈₂O₂₀

2-[4,5-Dihydroxy-2-[5-hydroxy-2-(hydroxymethyl)-6-[(6R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triolC₅₁H₈₂O₂₀

(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-2-[(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6S,7S,8R,9R,12S,13S,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triolC₅₁H₈₂O₂₀

(2R,3S,4R,5S,6S)-2-Methyl-6-[(2R,3S,4S,5R,6R)-2-methyl-6-[(1S,2S,4S,5'R,6S,7S,8R,9R,12S,13S,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triolC₅₁H₈₂O₂₀

(2S,3R,4R,5R,6S)-2-Methyl-6-[(2S,3S,4R,5R,6R)-2-methyl-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triolC₅₁H₈₂O₂₀

(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-2-[(2R,3R,4R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triolC₅₁H₈₂O₂₀

(2S,3R,4R,5R,6S)-2-Methyl-6-[(2S,3S,4R,5R,6R)-2-methyl-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triolC₅₁H₈₂O₂₀

2-Methyl-6-[2-methyl-6-[(6R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-3,4,5-triolC₅₁H₈₂O₂₀

Frequently asked questions

Quick answers about Asperin, based on the data on this page

What is Asperin?

Formosanin C has been reported in Ypsilandra thibetica, Paris polyphylla var. chinensis, and other organisms.

What is the CAS number of Asperin?

The CAS registry number of Asperin is 50773-42-7.

What is the molecular formula and weight of Asperin?

The molecular formula of Asperin is C51H82O20 and its molar mass is 1,015.20 g/mol.

Is Asperin hazardous?

Asperin carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Asperin?

Asperin is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Asperin?

CompoundList lists 1 supplier of Asperin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Asperin?

Suppliers quote Asperin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Asperin

Asperin

Key facts

What is Asperin?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Asperin suppliers

Where suppliers are based

Send one request to many suppliers

Asperin price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Asperin?

What is the CAS number of Asperin?

What is the molecular formula and weight of Asperin?

Is Asperin hazardous?

What is the HS code of Asperin?

Where can I buy Asperin?

What is the price of Asperin?

Guides for buyers

Get quotes for Asperin

Key facts

What is Asperin?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Asperin suppliers

Where suppliers are based

Send one request to many suppliers

Asperin price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Asperin?

What is the CAS number of Asperin?

What is the molecular formula and weight of Asperin?

Is Asperin hazardous?

What is the HS code of Asperin?

Where can I buy Asperin?

What is the price of Asperin?

Guides for buyers

Get quotes for Asperin