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

C\C=C(/C)C(=O)OC[C@@]12[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)[C@@H](OC(=O)C(\C)=C\C)[C@@H]2O

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

Molecular Formula C46H70O14
Molecular Weight 847.0396
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:13:32 GMT 2025
Edited
by admin
on Mon Mar 31 23:13:32 GMT 2025
Record UNII
U06F13N5GR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GYMNEMIC ACID XI
Common Name English
GYMNEMIC ACID XI (CONSTITUENT OF GYMNEMA) [DSC]
Preferred 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
Code System Code Type Description
CAS
147899-35-2
Created by admin on Mon Mar 31 23:13:32 GMT 2025 , Edited by admin on Mon Mar 31 23:13:32 GMT 2025
PRIMARY
FDA UNII
U06F13N5GR
Created by admin on Mon Mar 31 23:13:32 GMT 2025 , Edited by admin on Mon Mar 31 23:13:32 GMT 2025
PRIMARY
PUBCHEM
15674687
Created by admin on Mon Mar 31 23:13:32 GMT 2025 , Edited by admin on Mon Mar 31 23:13:32 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT