9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione

HCID 239405

Notes Reactions

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Basic information

CAS: 4064-57-7
Standard SMILES: CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
InChIKey: WHFHAAOGZDECTE-OLGWUGKESA-N
Molecular formula: C21H27FO3
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.19442288

Overview

9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione is a 20-oxo steroid.

Names & identifiers

Preferred name: 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione
IUPAC: (8S,9R,10S,11S,13S,14S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione4064-57-7(8S,9R,10S,11S,13S,14S)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-2,6,7,8,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-3-oneSCHEMBL11688389CHEBI:79598DTXSID90961035WHFHAAOGZDECTE-OLGWUGKESA-NNSC44446NSC-444469-Fluoro-11-hydroxypregna-4,16-diene-3,20-dioneQ27148719

Database identifiers

CAS: 4064-57-7
PubChem CID: 239405
DTXSID: DTXSID90961035
ChEBI: CHEBI:79598
Nikkaji: J2.792.357G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 723

Related reactions

2 records

New reaction record

HRID 267806As reactantuspto-grants-1976_03

HRID 1283724As reactantuspto-grants-1976_08

Compound notes

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