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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H32O3
Molecular Weight 308.4556
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5.ALPHA.-ANDROSTANE-3.BETA.,16.BETA.,17.BETA.-TRIOL

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C[C@H](O)[C@@H]2O

InChI

InChIKey=CXGDRQWRJUSSAR-KMDKCDOHSA-N
InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16-,17-,18-,19-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-79094
Preferred Name English
5.ALPHA.-ANDROSTANE-3.BETA.,16.BETA.,17.BETA.-TRIOL
Systematic Name English
ANDROSTANE-3,16,17-TRIOL, (3.BETA.,5.ALPHA.,16.BETA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30949993
Created by admin on Mon Mar 31 21:38:42 GMT 2025 , Edited by admin on Mon Mar 31 21:38:42 GMT 2025
PRIMARY
NSC
79094
Created by admin on Mon Mar 31 21:38:42 GMT 2025 , Edited by admin on Mon Mar 31 21:38:42 GMT 2025
PRIMARY
CAS
27261-27-4
Created by admin on Mon Mar 31 21:38:42 GMT 2025 , Edited by admin on Mon Mar 31 21:38:42 GMT 2025
PRIMARY
FDA UNII
8WC90I628N
Created by admin on Mon Mar 31 21:38:42 GMT 2025 , Edited by admin on Mon Mar 31 21:38:42 GMT 2025
PRIMARY
PUBCHEM
254628
Created by admin on Mon Mar 31 21:38:42 GMT 2025 , Edited by admin on Mon Mar 31 21:38:42 GMT 2025
PRIMARY