Structure database (LMSD)

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LM IDLMST02020025
Common NameFluoxymesterone (W)
Systematic Name9α-fluoro-11β,17β-dihydroxy-17-methylandrost-4-en-3-one
Synonyms-
Exact Mass
336.2101 (neutral)    Calculate m/z:
FormulaC20H29FO3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0224
PubChem CID6446
HMDB IDHMDB0015316
CHEBI ID5120
CAYMAN ID24082
InChIKeyYLRFCQOZQXIBAB-RBZZARIASA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
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SMILES
C1[C@]2(C)[C@@]3(F)[C@@H](O)C[C@]4(C)[C@@](C)(O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
332.28Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP4.19Molar
Refractivity
90.61