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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O3
Molecular Weight 330.4611
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11,12-Epoxypregnane-3,20-dione, (5β,11α,12α)-

SMILES

[H][C@@]12O[C@]1([H])[C@]3(C)[C@H](CC[C@@]3([H])[C@]4([H])CC[C@]5([H])CC(=O)CC[C@]5(C)[C@@]24[H])C(C)=O

InChI

InChIKey=ZUTUSHGUIOPVJS-UICWUCEBSA-N
InChI=1S/C21H30O3/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18-19(24-18)21(15,16)3/h12,14-19H,4-10H2,1-3H3/t12-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
11,12-Epoxypregnane-3,20-dione, (5β,11α,12α)-
Systematic Name English
5β-Pregnane-3,20-dione, 11α,12α-epoxy-
Systematic Name English
NSC-62994
Code English
Pregnane-3,20-dione, 11,12-epoxy-, (5β,11α,12α)-
Systematic Name English
(5β,11α,12α)-11,12-Epoxypregnane-3,20-dione
Systematic Name English
Code System Code Type Description
PUBCHEM
247730
Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023
PRIMARY
FDA UNII
BC7L722GX3
Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023
PRIMARY
NSC
62994
Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023
PRIMARY
CAS
2111-07-1
Created by admin on Sat Dec 16 20:00:50 GMT 2023 , Edited by admin on Sat Dec 16 20:00:50 GMT 2023
PRIMARY