U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of GYMNEMIC ACID I

SMILES

[H][C@@]6(O[C@H]1CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C4[C@]5([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](O)[C@]5(COC(C)=O)[C@@H](O)C[C@@]34C)[C@]1(C)CO)O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O

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

Approval Year

Name Type Language
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
GYMNEMIC ACID I, (+)-
Common Name English
Classification Tree Code System Code
DSLD 2860 (Number of products:2)
Created by admin on Sat Dec 16 02:06:34 GMT 2023 , Edited by admin on Sat Dec 16 02:06:34 GMT 2023
Code System Code Type Description
FDA UNII
N67JJ0K34T
Created by admin on Sat Dec 16 02:06:34 GMT 2023 , Edited by admin on Sat Dec 16 02:06:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID30474619
Created by admin on Sat Dec 16 02:06:34 GMT 2023 , Edited by admin on Sat Dec 16 02:06:34 GMT 2023
PRIMARY
PUBCHEM
11953919
Created by admin on Sat Dec 16 02:06:34 GMT 2023 , Edited by admin on Sat Dec 16 02:06:34 GMT 2023
PRIMARY
CAS
122168-40-5
Created by admin on Sat Dec 16 02:06:34 GMT 2023 , Edited by admin on Sat Dec 16 02:06:34 GMT 2023
PRIMARY