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Details

Stereochemistry EPIMERIC
Molecular Formula C22H32O2
Molecular Weight 328.4883
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OXOPREGNEN-4-ENE-20-CARBOXALDEHYDE

SMILES

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

InChI

InChIKey=XVPJEGGIGJLDQK-ZRFCQXGJSA-N
InChI=1S/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3/t14?,17-,18+,19-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H32O2
Molecular Weight 328.4883
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:32:37 GMT 2023
Edited
by admin
on Sat Dec 16 10:32:37 GMT 2023
Record UNII
5EQD2A2KM6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-OXOPREGNEN-4-ENE-20-CARBOXALDEHYDE
Systematic Name English
3-OXOPREGN-4-ENE-20-CARBOXALDEHYDE
Systematic Name English
(20RS)-20-METHYL-3-OXOPREGN-4-EN-21-AL
Common Name English
PREGN-4-ENE-20-CARBOXALDEHYDE, 3-OXO-
Systematic Name English
PROGESTERONE IMPURITY I [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
12083478
Created by admin on Sat Dec 16 10:32:37 GMT 2023 , Edited by admin on Sat Dec 16 10:32:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID70885260
Created by admin on Sat Dec 16 10:32:37 GMT 2023 , Edited by admin on Sat Dec 16 10:32:37 GMT 2023
PRIMARY
CAS
24254-01-1
Created by admin on Sat Dec 16 10:32:37 GMT 2023 , Edited by admin on Sat Dec 16 10:32:37 GMT 2023
PRIMARY
FDA UNII
5EQD2A2KM6
Created by admin on Sat Dec 16 10:32:37 GMT 2023 , Edited by admin on Sat Dec 16 10:32:37 GMT 2023
PRIMARY
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