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

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H64O13
Molecular Weight 764.9391
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GYMNEMIC ACID IV

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(CO)[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=UOZWTEQSPIEUHT-LHNBZPRDSA-N
InChI=1S/C41H64O13/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/h9-10,22-32,35,42-48H,11-19H2,1-8H3,(H,49,50)/b20-9+/t22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GYMNEMIC ACID IV
Common Name English
GYMNEMIC ACID IV (CONSTITUENT OF GYMNEMA) [DSC]
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,22,23,28-TETRAHYDROXY-21-(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL
Systematic Name English
Classification Tree Code System Code
DSLD 2860 (Number of products:2)
Created by admin on Sat Dec 16 09:12:19 GMT 2023 , Edited by admin on Sat Dec 16 09:12:19 GMT 2023
Code System Code Type Description
CAS
121903-96-6
Created by admin on Sat Dec 16 09:12:19 GMT 2023 , Edited by admin on Sat Dec 16 09:12:19 GMT 2023
PRIMARY
PUBCHEM
14264063
Created by admin on Sat Dec 16 09:12:19 GMT 2023 , Edited by admin on Sat Dec 16 09:12:19 GMT 2023
PRIMARY
FDA UNII
53ZB8903Z1
Created by admin on Sat Dec 16 09:12:19 GMT 2023 , Edited by admin on Sat Dec 16 09:12:19 GMT 2023
PRIMARY