GYMNEMIC ACID I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H66O14
Molecular Weight	806.9757
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(C)=O)[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=VEFSVJGWJQPWFS-ZXKKMYOJSA-N

InChI=1S/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h10-11,24-34,37,44,46-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H66O14
Molecular Weight	806.9757
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	17 / 17
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:08:18 GMT 2025` Edited by `admin` on `Mon Mar 31 21:08:18 GMT 2025`
Record UNII	N67JJ0K34T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-GYMNEMIC ACID I

Preferred Name

English

GYMNEMIC ACID I

Common Name

English

GYMNEMIC ACID I (CONSTITUENT OF GYMNEMA) [DSC]

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-28-(ACETYLOXY)-16,22,23-TRIHYDROXY-21-(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL

Systematic Name

English

GYMNEMIC ACID I, (+)-

Common Name

English

Classification Tree Code System Code

DSLD

2860 (Number of products:2)