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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32N2O2
Molecular Weight 344.491
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of (3Z,20E)-Pregn-4-ene-3,20-dione 3,20-dioxime

SMILES

[H][C@@]12CC[C@H](\C(C)=N\O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=C\C(CC[C@]34C)=N/O

InChI

InChIKey=JKENIRSEIALBGX-PYFJZWSYSA-N
InChI=1S/C21H32N2O2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23-25)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19,24-25H,4-11H2,1-3H3/b22-13+,23-15-/t16-,17+,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3Z,20E)-Pregn-4-ene-3,20-dione 3,20-dioxime
Systematic Name English
Pregn-4-ene-3,20-dione, 3,20-dioxime, (3Z,20E)-
Systematic Name English
Pregn-4-ene-3,20-dione, dioxime, (3Z,20E)-
Systematic Name English
Code System Code Type Description
CAS
135559-19-2
Created by admin on Sat Dec 16 19:16:22 GMT 2023 , Edited by admin on Sat Dec 16 19:16:22 GMT 2023
PRIMARY
FDA UNII
6EAY84G65V
Created by admin on Sat Dec 16 19:16:22 GMT 2023 , Edited by admin on Sat Dec 16 19:16:22 GMT 2023
PRIMARY
PUBCHEM
12071378
Created by admin on Sat Dec 16 19:16:22 GMT 2023 , Edited by admin on Sat Dec 16 19:16:22 GMT 2023
PRIMARY