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Steroids and sterols

Gracillin

Also known as 3-O-(Glcb1-3(Rhaa1-2)Glcb)-(25R)-spirost-5-en-3beta-ol, Diosgenyl rhamnopyranosyl-1-2-(glucopyranosyl-1-3)glucopyranoside, diosgenin-alpha-L-rhamnopyranosyl (1----2)-beta-D-glucopyranosyl (1----3)-beta-D-glucopyranoside

CAS 19083-00-2Formula C45H72O17Molar mass 885.05 g/molEC 866-820-3
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Gracillin chemical structure, C45H72O17, CAS 19083-00-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
19083-00-2
Formula
C45H72O17
Molar mass
885.05 g/mol
EC number
866-820-3
HS code
293890
Category
Steroids and sterols

What is Gracillin?

Plain description, key identifiers and synonyms

Gracillin is a triterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(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-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CAS number
19083-00-2 CAS number cross-checked
EC number
866-820-3
Molecular formula
C45H72O17
MDL number
MFCD28978176
InChIKey
YQEMAEKYNNOCBY-IEMDQPGHSA-N
InChI
InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1
Canonical SMILES
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)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)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1

Synonyms

  • 3-O-(Glcb1-3(Rhaa1-2)Glcb)-(25R)-spirost-5-en-3beta-ol
  • Diosgenyl rhamnopyranosyl-1-2-(glucopyranosyl-1-3)glucopyranoside
  • diosgenin-alpha-L-rhamnopyranosyl (1----2)-beta-D-glucopyranosyl (1----3)-beta-D-glucopyranoside
  • beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-O-[beta-D-glucopyranosyl-(1-->3)]-
  • Diosgenin 3-O-beta-gracillimatrioside
  • Gracillin (Standard)
  • beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-
  • diosgenin 3-O-[alpha-L-rhamnopyranosyl(1->2)-[beta-D-glucopyranosyl(1->3)]]-beta-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
885.05 g/molcalc.
Exact mass
884.477 Dacalc.
LogP (octanol/water)
0.21calc.
Topological polar surface area
255.9 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
17calc.
Rotatable bonds
8calc.
Heavy atoms
62calc.
Rings
9calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
0calc.
Stereocentres
26calc.
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

Murcko scaffold of this chemical, C1=C2CC(OC3OCCC(OC4CCCCO4)C3OC3CCCCO3)CCC2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1

C1=C2CC(OC3OCCC(OC4CCCCO4)C3OC3CCCCO3)CCC2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1

9 rings, 46 atoms.

9 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Gracillin suppliers

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

All 4 suppliers
4 of 4 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

4 suppliers in 1 country

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Gracillin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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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 Gracillin 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
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Gracillin?

Gracillin is a triterpenoid.

What is the CAS number of Gracillin?

The CAS registry number of Gracillin is 19083-00-2.

What is the molecular formula and weight of Gracillin?

The molecular formula of Gracillin is C45H72O17 and its molar mass is 885.05 g/mol.

Is Gracillin hazardous?

No GHS hazard classification for Gracillin is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Gracillin?

Gracillin 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 Gracillin?

CompoundList lists 4 suppliers of Gracillin 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 Gracillin?

Suppliers quote Gracillin 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 Gracillin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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