Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate

HCID 200641

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Basic information

CAS: 2414-52-0
Standard SMILES: C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(C)=O)C(=O)CF)[C@@]2(C)CCC(=O)C=C12
InChIKey: BBSUNMQYYAAEMH-USYNNDFZSA-N
Molecular formula: C24H31FO4
Average molar mass: 402.5 g/mol
Monoisotopic mass: 402.22063763

Names & identifiers

Preferred name: Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate
IUPAC: [(8R,9S,10R,13S,14S,17R)-17-(2-fluoroacetyl)-10,13-dimethyl-6-methylidene-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Names & synonyms

2414-52-0Pregn-4-ene-3,20-dione, 21-fluoro-17-hydroxy-6-methylene-, acetate6-Methylene-21-fluoro-17-acetoxyprogesteronePregn-4-ene-3,20-dione, 17-(acetyloxy)-21-fluoro-6-methylene-SCHEMBL11205510DTXSID0094695921-fluoro-6-methylidene-3,20-dioxopregn-4-en-17-yl acetate

Database identifiers

CAS: 2414-52-0
PubChem CID: 200641
DTXSID: DTXSID00946959

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 60.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 829

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