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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H48O5
Molecular Weight 512.7205
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GYPSOGENIN ACETATE

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](OC(C)=O)[C@@](C)(C=O)[C@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=MCDYEFFAFNMJFD-PRGPMLBASA-N
InChI=1S/C32H48O5/c1-20(34)37-25-11-12-28(4)23(29(25,5)19-33)10-13-31(7)24(28)9-8-21-22-18-27(2,3)14-16-32(22,26(35)36)17-15-30(21,31)6/h8,19,22-25H,9-18H2,1-7H3,(H,35,36)/t22-,23+,24+,25-,28-,29-,30+,31+,32-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GYPSOGENIN ACETATE
MI  
Common Name English
(3.BETA.,4.ALPHA.)-3-HYDROXY-23-OXOOLEAN-12-EN-28-OIC ACID, ACETATE
Systematic Name English
GITHAGENIN ACETATE
Common Name English
OLEAN-12-EN-28-OIC ACID, 3-(ACETYLOXY)-23-OXO-, (3.BETA.,4.ALPHA.)-
Systematic Name English
GYPSOGENIN ACETATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
D5R6OC01IY
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY
CAS
27706-38-3
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY
MERCK INDEX
m224
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY Merck Index
PUBCHEM
90683273
Created by admin on Sat Dec 16 18:15:51 GMT 2023 , Edited by admin on Sat Dec 16 18:15:51 GMT 2023
PRIMARY