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

Details

Stereochemistry ABSOLUTE
Molecular Formula C47H74O18
Molecular Weight 927.0797
Optical Activity UNSPECIFIED
Defined Stereocenters 22 / 22
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GYMNEMIC ACID VIII

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@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)C7=O)[C@H]6O)C(O)=O

InChI

InChIKey=KIFOYKWBRFBOHQ-XMNCZCGISA-N
InChI=1S/C47H74O18/c1-9-21(2)39(60)65-37-36(57)47(20-50)23(16-42(37,3)4)22-10-11-26-43(5)14-13-28(44(6,19-49)25(43)12-15-45(26,7)46(22,8)17-27(47)51)62-41-33(56)34(32(55)35(64-41)38(58)59)63-40-31(54)30(53)29(52)24(18-48)61-40/h10,21,23-30,32-37,40-41,48-53,55-57H,9,11-20H2,1-8H3,(H,58,59)/t21-,23-,24+,25+,26+,27-,28-,29+,30-,32-,33+,34-,35-,36-,37-,40-,41+,43-,44-,45+,46+,47-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GYMNEMIC ACID VIII
Common Name English
GYMNEMIC ACID VIII, (+)-
Common Name English
GYMNEMIC ACID VIII (CONSTITUENT OF GYMNEMA) [DSC]
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.-(S),22.ALPHA.)-16,22,23,28-TETRAHYDROXY-21-(2-METHYL-1-OXOBUTOXY)OLEAN-12-EN-3-YL 3-O-.BETA.-D-ARABINO-HEXOPYRANOS-2-ULOS-1-YL-
Systematic Name English
(+)-GYMNEMIC ACID VIII
Common Name English
Code System Code Type Description
FDA UNII
O9N5N83DZZ
Created by admin on Sat Dec 16 09:00:40 GMT 2023 , Edited by admin on Sat Dec 16 09:00:40 GMT 2023
PRIMARY
CAS
131653-19-5
Created by admin on Sat Dec 16 09:00:40 GMT 2023 , Edited by admin on Sat Dec 16 09:00:40 GMT 2023
PRIMARY
PUBCHEM
91617623
Created by admin on Sat Dec 16 09:00:40 GMT 2023 , Edited by admin on Sat Dec 16 09:00:40 GMT 2023
PRIMARY