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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O4
Molecular Weight 428.6041
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GENTROGENIN

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC(=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2

InChI

InChIKey=UVLDESQWQRMYKD-MOAZMYQBSA-N
InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GENTROGENIN
MI  
Common Name English
20.ALPHA.,22.ALPHA.,25D-SPIROST-5-EN-3.BETA.-OL-12-ONE
Code English
(25R)-3.BETA.-HYDROXYSPIROST-5-EN-12-ONE
Common Name English
OXODIOSGENIN
Common Name English
GENTROGENIN [MI]
Common Name English
BOTOGENIN
Common Name English
SPIROST-5-EN-12-ONE, 3-HYDROXY-, (3.BETA.,25R)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50962629
Created by admin on Fri Dec 15 20:37:07 GMT 2023 , Edited by admin on Fri Dec 15 20:37:07 GMT 2023
PRIMARY
CAS
427-28-1
Created by admin on Fri Dec 15 20:37:07 GMT 2023 , Edited by admin on Fri Dec 15 20:37:07 GMT 2023
PRIMARY
MERCK INDEX
m200
Created by admin on Fri Dec 15 20:37:07 GMT 2023 , Edited by admin on Fri Dec 15 20:37:07 GMT 2023
PRIMARY Merck Index
FDA UNII
143BUS408H
Created by admin on Fri Dec 15 20:37:07 GMT 2023 , Edited by admin on Fri Dec 15 20:37:07 GMT 2023
PRIMARY
PUBCHEM
20054922
Created by admin on Fri Dec 15 20:37:07 GMT 2023 , Edited by admin on Fri Dec 15 20:37:07 GMT 2023
PRIMARY