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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H42O5
Molecular Weight 470.6408
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GENTROGENIN ACETATE

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC(=O)[C@]23C)OC(C)=O)O[C@]16CC[C@@H](C)CO6

InChI

InChIKey=MSNYSLBOIHUYMS-URBKRRPPSA-N
InChI=1S/C29H42O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h6,16-17,20-24,26H,7-15H2,1-5H3/t16-,17+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BOTOGENIN, ACETATE
Preferred Name English
GENTROGENIN ACETATE
MI  
Common Name English
SPIROST-5-EN-12-ONE, 3-(ACETYLOXY)-, (3.BETA.,25R)-
Systematic Name English
GENTROGENIN ACETATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
B94OAH0QXQ
Created by admin on Mon Mar 31 22:58:24 GMT 2025 , Edited by admin on Mon Mar 31 22:58:24 GMT 2025
PRIMARY
MERCK INDEX
m200
Created by admin on Mon Mar 31 22:58:24 GMT 2025 , Edited by admin on Mon Mar 31 22:58:24 GMT 2025
PRIMARY Merck Index
CAS
5996-01-0
Created by admin on Mon Mar 31 22:58:24 GMT 2025 , Edited by admin on Mon Mar 31 22:58:24 GMT 2025
PRIMARY
PUBCHEM
86278160
Created by admin on Mon Mar 31 22:58:24 GMT 2025 , Edited by admin on Mon Mar 31 22:58:24 GMT 2025
PRIMARY