Polyphyllin E (RG)
Key facts
What buyers check first
- Formula
- C51H82O20
- Molar mass
- 1,015.20 g/mol
- HS code
- 293890
- Category
- Steroids and sterols
What is Polyphyllin E (RG)?
Plain description, key identifiers and synonyms
Polyphyllin E (RG) is a chemical substance with the molecular formula C51H82O20 and a molar mass of 1,015.20 g/mol. The IUPAC name is 2-methyl-6-[2-methyl-6-(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-triol.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-methyl-6-[2-methyl-6-(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-triol
- Molecular formula
- C51H82O20
- InChIKey
- PLDYAXVZGBUCAG-UHFFFAOYSA-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(70-47-41(61)38(58)35(55)31(18-52)67-47)43(69-46-40(60)37(57)34(54)23(4)64-46)42(24(5)65-48)68-45-39(59)36(56)33(53)22(3)63-45/h8,20-24,26-48,52-61H,9-19H2,1-7H3
- SMILES (canonical and isomeric)
- CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)C)OC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(C(O9)C)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)C)C)OC1
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.Computed value |
|---|---|
| Exact mass | 1,014.5399 Dacalc.Computed value |
| LogP (octanol/water) | 0.09calc.Computed value |
| Topological polar surface area | 294.6 Ųcalc.Computed value |
| Hydrogen bond donors | 10calc.Computed value |
| Hydrogen bond acceptors | 20calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 71calc.Computed value |
| Rings | 10calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.96calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 31calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
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(OC4CCCCO4)C(OC4CCCCO4)C3OC3CCCCO3)CCC2C2CCC3C4CC5(CCCCO5)OC4CC3C2C1
10 rings, 53 atoms.
6 other chemicals share this scaffoldSafety 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.
Polyphyllin E (RG) suppliers
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Post one free request and suppliers who make or trade Polyphyllin E (RG) can send you quotes. Your contact details stay private until you accept a quote.
Polyphyllin E (RG) price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
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 Polyphyllin E (RG) is traded under.
Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives
- United States22.3%
- India * partner reported7.8%
- Brazil5.5%
* Partner reported figures, a lower bound.
The HS code shown for Polyphyllin E (RG) is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![(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-triol chemical structure, C51H82O20, CAS 76296-74-7](/s/PLDYAXVZGBUCAG-UEMJIXAHSA-N.svg)
![(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-triol chemical structure, C51H82O20](/s/PLDYAXVZGBUCAG-ATPQRLDCSA-N.svg)
![(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-triol chemical structure, C51H82O20](/s/PLDYAXVZGBUCAG-LFTDMZIESA-N.svg)
![(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-triol chemical structure, C51H82O20](/s/PLDYAXVZGBUCAG-JAPCNKQPSA-N.svg)
![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-triol chemical structure, C51H82O20](/s/PLDYAXVZGBUCAG-XDNNTTNNSA-N.svg)
![(2R,3S,4S,5S,6R)-2-Methyl-6-[(2R,3R,4S,5S,6S)-2-methyl-6-[(1R,2R,4R,5'S,6S,7R,8S,9R,12R,13S,16R)-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-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol chemical structure, C51H82O20](/s/PLDYAXVZGBUCAG-GWWJUNPZSA-N.svg)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->2)]- chemical structure, C51H82O22, CAS 94696-62-5](/s/AENUWGNJANYUDQ-UHFFFAOYSA-N.svg)
![(25R)-Spirost-5-en-3-yl alpha-L-arabinofuranosyl-(1->4)-[6-deoxy-alpha-L-mannopyranosyl-(1->2)]-(4xi)-D-xylo-hexopyranoside chemical structure, C44H70O16](/s/LRRDDWMXYOSKIC-IYGSDECOSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![(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](/s/SPDRGXNPOLRBGD-XJADHDRTSA-N.svg)
![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-triol chemical structure, C51H82O20](/s/SPDRGXNPOLRBGD-XDNNTTNNSA-N.svg)
![(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-triol chemical structure, C51H82O20](/s/SPDRGXNPOLRBGD-NZNCFSCESA-N.svg)
![(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-triol chemical structure, C51H82O20](/s/SPDRGXNPOLRBGD-WSQUGMRWSA-N.svg)
![2-[4,5-Dihydroxy-2-[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-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol chemical structure, C51H82O20](/s/SPDRGXNPOLRBGD-KAZQTEQASA-N.svg)
Frequently asked questions
Quick answers about Polyphyllin E (RG), based on the data on this page
What is Polyphyllin E (RG)?
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