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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O2
Molecular Weight 314.4617
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5.BETA.-PREGN-11-ENE-3,20-DIONE

SMILES

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

InChI

InChIKey=ZQTJQOPWOKKYDC-XWOJZHJZSA-N
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11,14,16-19H,4-8,10,12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5.BETA.-PREGN-11-ENE-3,20-DIONE
Systematic Name English
NSC-54703
Preferred Name English
PREGN-11-ENE-3,20-DIONE
Systematic Name English
PREGN-11-ENE-3,20-DIONE, (5.BETA.)-
Systematic Name English
.DELTA.-11-PREGNEN-3,20-DIONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10911254
Created by admin on Mon Mar 31 21:29:50 GMT 2025 , Edited by admin on Mon Mar 31 21:29:50 GMT 2025
PRIMARY
FDA UNII
31GMW700U3
Created by admin on Mon Mar 31 21:29:50 GMT 2025 , Edited by admin on Mon Mar 31 21:29:50 GMT 2025
PRIMARY
NSC
54703
Created by admin on Mon Mar 31 21:29:50 GMT 2025 , Edited by admin on Mon Mar 31 21:29:50 GMT 2025
PRIMARY
PUBCHEM
11370451
Created by admin on Mon Mar 31 21:29:50 GMT 2025 , Edited by admin on Mon Mar 31 21:29:50 GMT 2025
PRIMARY
CAS
1096-39-5
Created by admin on Mon Mar 31 21:29:50 GMT 2025 , Edited by admin on Mon Mar 31 21:29:50 GMT 2025
PRIMARY
CAS
26423-79-0
Created by admin on Mon Mar 31 21:29:50 GMT 2025 , Edited by admin on Mon Mar 31 21:29:50 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY