GYMNEMIC ACID III

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H66O13
Molecular Weight	766.9549
Optical Activity	UNSPECIFIED
Defined Stereocenters	18 / 18
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C

InChI

InChIKey=VLXWTKUXVXJELF-DDRSIQBQSA-N

InChI=1S/C41H66O13/c1-9-20(2)34(51)54-32-31(48)41(19-43)22(16-36(32,3)4)21-10-11-24-37(5)14-13-26(52-35-29(47)27(45)28(46)30(53-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)44/h10,20,22-32,35,42-48H,9,11-19H2,1-8H3,(H,49,50)/t20-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H66O13
Molecular Weight	766.9549
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	18 / 18
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:05:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:05:19 GMT 2025`
Record UNII	I63P1QEJ6A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GYMNEMIC ACID III

Common Name

English

GYMNEMIC ACID III (CONSTITUENT OF GYMNEMA) [DSC]

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,22,23,28-TETRAHYDROXY-21-((2S)-2-METHYL-1-OXOBUTOXY)OLEAN-12-EN-3-YL

Systematic Name

English

Classification Tree Code System Code

DSLD

2860 (Number of products:2)

Created by admin on Mon Mar 31 21:05:19 GMT 2025 , Edited by admin on Mon Mar 31 21:05:19 GMT 2025

Code System Code Type Description

PUBCHEM

14264066

Created by admin on Mon Mar 31 21:05:19 GMT 2025 , Edited by admin on Mon Mar 31 21:05:19 GMT 2025

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FDA UNII

I63P1QEJ6A

Created by admin on Mon Mar 31 21:05:19 GMT 2025 , Edited by admin on Mon Mar 31 21:05:19 GMT 2025

PRIMARY

CAS

122074-65-1

Created by admin on Mon Mar 31 21:05:19 GMT 2025 , Edited by admin on Mon Mar 31 21:05:19 GMT 2025

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