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

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 of GYMNEMIC ACID III

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@@H](C)CC)[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=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

Approval Year

Name Type Language
GYMNEMIC ACID III
Common 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
GYMNEMIC ACID III (CONSTITUENT OF GYMNEMA) [DSC]
Common Name English
Classification Tree Code System Code
DSLD 2860 (Number of products:2)
Created by admin on Sat Dec 16 01:57:31 GMT 2023 , Edited by admin on Sat Dec 16 01:57:31 GMT 2023
Code System Code Type Description
PUBCHEM
14264066
Created by admin on Sat Dec 16 01:57:31 GMT 2023 , Edited by admin on Sat Dec 16 01:57:31 GMT 2023
PRIMARY
FDA UNII
I63P1QEJ6A
Created by admin on Sat Dec 16 01:57:31 GMT 2023 , Edited by admin on Sat Dec 16 01:57:31 GMT 2023
PRIMARY
CAS
122074-65-1
Created by admin on Sat Dec 16 01:57:31 GMT 2023 , Edited by admin on Sat Dec 16 01:57:31 GMT 2023
PRIMARY