6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione

HCID 9799

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Basic information

CAS: 387-59-7
Standard SMILES: C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)CCC4(C)C3C(O)CC2(C)[C@@]1(O)C(=O)CO
InChIKey: JXOONFORBFAKIN-KTTHZPTNSA-N
Molecular formula: C22H31FO5
Average molar mass: 394.5 g/mol
Monoisotopic mass: 394.21555225

Names & identifiers

Preferred name: 6-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione
IUPAC: (6S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Names & synonyms

DTXSID409595236-Fluoro-11,17,21-trihydroxy-16-methylpregn-4-ene-3,20-dione(8xi,9xi,10xi)-6alpha-Fluoro-11,17,21-trihydroxy-16alpha-methyl-13xi,14xi-pregn-4-ene-3,20-dione

Database identifiers

CAS: 387-59-7
PubChem CID: 9799
DTXSID: DTXSID40959523

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 94.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 749

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