GYPSOGENIN METHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H48O4
Molecular Weight	484.7104
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@]12CCC(C)(C)C[C@H]1C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2

InChI

InChIKey=SFRFLQWDAKDVPU-HDUSDABTSA-N

InChI=1S/C31H48O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,19,21-24,33H,9-18H2,1-7H3/t21-,22+,23+,24-,27-,28-,29+,30+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H48O4
Molecular Weight	484.7104
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:34:19 GMT 2025` Edited by `admin` on `Mon Mar 31 22:34:19 GMT 2025`
Record UNII	A0443J3Q0X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GITHAGENIN METHYL ESTER

Preferred Name

English

GYPSOGENIN METHYL ESTER

Common Name

English

(3.BETA.,4.ALPHA.)-3-HYDROXY-23-OXOOLEAN-12-EN-28-OIC ACID, METHYL ESTER

Systematic Name

English

GYPSOGENIN METHYL ESTER [MI]

Common Name

English

OLEAN-12-EN-28-OIC ACID, 3-HYDROXY-23-OXO-, METHYL ESTER, (3.BETA.,4.ALPHA.)-

Systematic Name

English

Code System Code Type Description

MERCK INDEX

m224

Created by admin on Mon Mar 31 22:34:19 GMT 2025 , Edited by admin on Mon Mar 31 22:34:19 GMT 2025

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Merck Index

PUBCHEM

21594161

Created by admin on Mon Mar 31 22:34:19 GMT 2025 , Edited by admin on Mon Mar 31 22:34:19 GMT 2025

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FDA UNII

A0443J3Q0X

Created by admin on Mon Mar 31 22:34:19 GMT 2025 , Edited by admin on Mon Mar 31 22:34:19 GMT 2025

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CAS

55627-01-5

Created by admin on Mon Mar 31 22:34:19 GMT 2025 , Edited by admin on Mon Mar 31 22:34:19 GMT 2025

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