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

Details

Stereochemistry ABSOLUTE
Molecular Formula C46H70O14
Molecular Weight 847.0396
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of GYMNEMIC ACID XI

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(=O)C(\C)=C\C)[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=HXMHDLGRRVPZTP-ZIDNNZLZSA-N
InChI=1S/C46H70O14/c1-11-23(3)38(55)57-22-46-26(19-41(5,6)36(35(46)52)60-39(56)24(4)12-2)25-13-14-28-42(7)17-16-30(58-40-33(51)31(49)32(50)34(59-40)37(53)54)43(8,21-47)27(42)15-18-44(28,9)45(25,10)20-29(46)48/h11-13,26-36,40,47-52H,14-22H2,1-10H3,(H,53,54)/b23-11+,24-12+/t26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36-,40+,42-,43-,44+,45+,46-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GYMNEMIC ACID XI
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,22,23-TRIHYDROXY-21,28-BIS(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL
Systematic Name English
GYMNEMIC ACID XI, (+)-
Common Name English
GYMNEMIC ACID XI (CONSTITUENT OF GYMNEMA) [DSC]
Common Name English
Code System Code Type Description
CAS
147899-35-2
Created by admin on Sat Dec 16 10:25:00 GMT 2023 , Edited by admin on Sat Dec 16 10:25:00 GMT 2023
PRIMARY
FDA UNII
U06F13N5GR
Created by admin on Sat Dec 16 10:25:00 GMT 2023 , Edited by admin on Sat Dec 16 10:25:00 GMT 2023
PRIMARY
PUBCHEM
15674687
Created by admin on Sat Dec 16 10:25:00 GMT 2023 , Edited by admin on Sat Dec 16 10:25:00 GMT 2023
PRIMARY