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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29FO3
Molecular Weight 348.4516
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 21-FLUORO-11-HYDROXY-PREGN-4-ENE-3,20-DIONE, (11.BETA.)-

SMILES

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

InChI

InChIKey=UXQRVGWQURFJGJ-HJTSIMOOSA-N
InChI=1S/C21H29FO3/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H29FO3
Molecular Weight 348.4516
Charge 0
Count
Stereochemistry ABSOLUTE
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 00:28:27 GMT 2023
Edited
by admin
on Sat Dec 16 00:28:27 GMT 2023
Record UNII
6HOR108X19
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
21-FLUORO-11-HYDROXY-PREGN-4-ENE-3,20-DIONE, (11.BETA.)-
Systematic Name English
NSC-19614
Code English
PREGN-4-ENE-3,20-DIONE, 21-FLUORO-11-HYDROXY-, (11.BETA.)-
Systematic Name English
PROGESTERONE, 21-FLUORO-11.BETA.-HYDROXY-
Common Name English
Code System Code Type Description
PUBCHEM
227671
Created by admin on Sat Dec 16 00:28:27 GMT 2023 , Edited by admin on Sat Dec 16 00:28:27 GMT 2023
PRIMARY
FDA UNII
6HOR108X19
Created by admin on Sat Dec 16 00:28:27 GMT 2023 , Edited by admin on Sat Dec 16 00:28:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID10955491
Created by admin on Sat Dec 16 00:28:27 GMT 2023 , Edited by admin on Sat Dec 16 00:28:27 GMT 2023
PRIMARY
CAS
339-83-3
Created by admin on Sat Dec 16 00:28:27 GMT 2023 , Edited by admin on Sat Dec 16 00:28:27 GMT 2023
PRIMARY
NSC
19614
Created by admin on Sat Dec 16 00:28:27 GMT 2023 , Edited by admin on Sat Dec 16 00:28:27 GMT 2023
PRIMARY