9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHOXYPREGN-4-ENE-3,20-DIONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31FO6
Molecular Weight	410.4763
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHOXYPREGN-4-ENE-3,20-DIONE

Structure Search

SMILES

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

InChI

InChIKey=KCAZWJIALKKGPU-VXAJXXRKSA-N

InChI=1S/C22H31FO6/c1-19-7-6-13(25)8-12(19)4-5-14-15-9-18(29-3)22(28,17(27)11-24)20(15,2)10-16(26)21(14,19)23/h8,14-16,18,24,26,28H,4-7,9-11H2,1-3H3/t14-,15-,16-,18+,19-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H31FO6
Molecular Weight	410.4763
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:35:15 GMT 2025` Edited by `admin` on `Mon Mar 31 17:35:15 GMT 2025`
Record UNII	5T54A87DBK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11,17,21-TRIHYDROXY-16-METHOXY-, (11.BETA.,16.ALPHA.)-

Preferred Name

English

9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHOXYPREGN-4-ENE-3,20-DIONE

Systematic Name

English

PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.ALPHA.-METHOXY-

Systematic Name

English

Code System Code Type Description

CAS

3831-84-3

Created by admin on Mon Mar 31 17:35:15 GMT 2025 , Edited by admin on Mon Mar 31 17:35:15 GMT 2025

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PUBCHEM

90478817

Created by admin on Mon Mar 31 17:35:15 GMT 2025 , Edited by admin on Mon Mar 31 17:35:15 GMT 2025

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FDA UNII

5T54A87DBK

Created by admin on Mon Mar 31 17:35:15 GMT 2025 , Edited by admin on Mon Mar 31 17:35:15 GMT 2025

PRIMARY