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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O2
Molecular Weight 316.4776
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ACETYL-5.ALPHA.-ANDROSTAN-17.BETA.-OL

SMILES

CC(=O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)C1

InChI

InChIKey=WMGRPBXJTKDUHJ-BPSSIEEOSA-N
InChI=1S/C21H32O2/c1-13(22)14-8-10-20(2)15(12-14)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h8,15-19,23H,4-7,9-12H2,1-3H3/t15-,16-,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-39365
Preferred Name English
3-ACETYL-5.ALPHA.-ANDROSTAN-17.BETA.-OL
Systematic Name English
KETONE, 17.BETA.-HYDROXY-5.ALPHA.-ANDROST-2-EN-3-YL METHYL
Systematic Name English
5.ALPHA.-ANDROSTAN-17.BETA.-OL, 3-ACETYL-
Systematic Name English
ETHANONE, 1-((5.ALPHA.,17.BETA.)-17-HYDROXYANDROST-2-EN-3-YL)-
Systematic Name English
Code System Code Type Description
CAS
17006-89-2
Created by admin on Mon Mar 31 21:22:55 GMT 2025 , Edited by admin on Mon Mar 31 21:22:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID20168792
Created by admin on Mon Mar 31 21:22:55 GMT 2025 , Edited by admin on Mon Mar 31 21:22:55 GMT 2025
PRIMARY
NSC
39365
Created by admin on Mon Mar 31 21:22:55 GMT 2025 , Edited by admin on Mon Mar 31 21:22:55 GMT 2025
PRIMARY
FDA UNII
153QG4209U
Created by admin on Mon Mar 31 21:22:55 GMT 2025 , Edited by admin on Mon Mar 31 21:22:55 GMT 2025
PRIMARY
PUBCHEM
236665
Created by admin on Mon Mar 31 21:22:55 GMT 2025 , Edited by admin on Mon Mar 31 21:22:55 GMT 2025
PRIMARY