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

Details

Stereochemistry ABSOLUTE
Molecular Formula C49H76O19
Molecular Weight 969.1163
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 22
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GYMNEMIC ACID XII

SMILES

[H][C@@]7(O[C@H]1[C@H](O)[C@H](O[C@@]([H])(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C5[C@]6([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@H](O)[C@]6(COC(C)=O)[C@@H](O)C[C@@]45C)[C@]2(C)CO)[C@@H]1O)C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=XHFAFTWZPMKJCK-MTYXAMRGSA-N
InChI=1S/C49H76O19/c1-10-22(2)41(62)68-39-38(59)49(21-63-23(3)52)25(17-44(39,4)5)24-11-12-28-45(6)15-14-30(46(7,20-51)27(45)13-16-47(28,8)48(24,9)18-29(49)53)65-43-35(58)36(34(57)37(67-43)40(60)61)66-42-33(56)32(55)31(54)26(19-50)64-42/h10-11,25-39,42-43,50-51,53-59H,12-21H2,1-9H3,(H,60,61)/b22-10+/t25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39-,42-,43+,45-,46-,47+,48+,49-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GYMNEMIC ACID XII
Common Name English
GYMNEMIC ACID XII (CONSTITUENT OF GYMNEMA) [DSC]
Common Name English
GYMNEMIC ACID XII, (+)-
Common Name English
Code System Code Type Description
CAS
147899-36-3
Created by admin on Sat Dec 16 10:18:28 GMT 2023 , Edited by admin on Sat Dec 16 10:18:28 GMT 2023
PRIMARY
PUBCHEM
91826975
Created by admin on Sat Dec 16 10:18:28 GMT 2023 , Edited by admin on Sat Dec 16 10:18:28 GMT 2023
PRIMARY
FDA UNII
81E1A0G19O
Created by admin on Sat Dec 16 10:18:28 GMT 2023 , Edited by admin on Sat Dec 16 10:18:28 GMT 2023
PRIMARY