12-FLUORO-11,16,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE, (11.BETA.,12.ALPHA.,16.ALPHA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29FO5
Molecular Weight	380.4504
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 12-FLUORO-11,16,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE, (11.BETA.,12.ALPHA.,16.ALPHA.)-

Structure Search

SMILES

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

InChI

InChIKey=IPYHHTWTANIKOA-MVCOBZCTSA-N

InChI=1S/C21H29FO5/c1-10(23)21(27)15(25)9-14-13-5-4-11-8-12(24)6-7-19(11,2)16(13)17(26)18(22)20(14,21)3/h8,13-18,25-27H,4-7,9H2,1-3H3/t13-,14-,15+,16+,17+,18-,19-,20+,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H29FO5
Molecular Weight	380.4504
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:08:02 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:02 GMT 2025`
Record UNII	94FE4SA1S5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

12-FLUORO-11,16,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE, (11.BETA.,12.ALPHA.,16.ALPHA.)-

Systematic Name

English

12A-FLUORO-11B,16A,17-TRIHYDROXYPREGN-4-ENE-3,20-DIONE

Preferred Name

English

PREGN-4-ENE-3,20-DIONE, 12.ALPHA.-FLUORO-11.BETA.,16.ALPHA.,17-TRIHYDROXY-

Systematic Name

English

PREGN-4-ENE-3,20-DIONE, 12-FLUORO-11,16,17-TRIHYDROXY-, (11.BETA.,12.ALPHA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

90479406

Created by admin on Mon Mar 31 18:08:02 GMT 2025 , Edited by admin on Mon Mar 31 18:08:02 GMT 2025

PRIMARY

FDA UNII

94FE4SA1S5

Created by admin on Mon Mar 31 18:08:02 GMT 2025 , Edited by admin on Mon Mar 31 18:08:02 GMT 2025

PRIMARY

CAS

2367-53-5

Created by admin on Mon Mar 31 18:08:02 GMT 2025 , Edited by admin on Mon Mar 31 18:08:02 GMT 2025

PRIMARY