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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O3
Molecular Weight 328.4452
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.ALPHA.-PREGN-4-ENE-3,11,20-TRIONE

SMILES

CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

InChI

InChIKey=WKAVAGKRWFGIEA-LANMLWSUSA-N
InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16-,17-,19+,20-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.ALPHA.-PREGN-4-ENE-3,11,20-TRIONE
Systematic Name English
NSC-9725
Preferred Name English
NSC-9788
Code English
Code System Code Type Description
NSC
9788
Created by admin on Mon Mar 31 21:30:09 GMT 2025 , Edited by admin on Mon Mar 31 21:30:09 GMT 2025
PRIMARY
PUBCHEM
222798
Created by admin on Mon Mar 31 21:30:09 GMT 2025 , Edited by admin on Mon Mar 31 21:30:09 GMT 2025
PRIMARY
NSC
9725
Created by admin on Mon Mar 31 21:30:09 GMT 2025 , Edited by admin on Mon Mar 31 21:30:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID00181020
Created by admin on Mon Mar 31 21:30:09 GMT 2025 , Edited by admin on Mon Mar 31 21:30:09 GMT 2025
PRIMARY
CAS
26423-78-9
Created by admin on Mon Mar 31 21:30:09 GMT 2025 , Edited by admin on Mon Mar 31 21:30:09 GMT 2025
PRIMARY
FDA UNII
5IKB9OB7GD
Created by admin on Mon Mar 31 21:30:09 GMT 2025 , Edited by admin on Mon Mar 31 21:30:09 GMT 2025
PRIMARY