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(13S,17R)-17-ethynyl-4-fluoranyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID 5E20geTbtx0
InChI InChI=1S/C20H23FO2/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(22)18(15)21)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,22-23H,4-5,8-11H2,2H3/t13?,14?,16?,19-,20-/m0/s1
InChIKey VPFUTTAXDHWDIN-BMSRGXOESA-N
Mol Weight 314.4 g/mol
Molecular Formula C20H23FO2
Exact Mass 314.168208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCwQ6U1dTE9
Name (13S,17R)-17-ethynyl-4-fluoranyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Alternate Name(s) (13S,17R)-17-ethynyl-4-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
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Formula C20H23FO2
InChI InChI=1S/C20H23FO2/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(22)18(15)21)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,22-23H,4-5,8-11H2,2H3/t13?,14?,16?,19-,20-/m0/s1
InChIKey VPFUTTAXDHWDIN-BMSRGXOESA-N
Molecular Weight 314.400 g/mol
SMILES Oc1ccc2c(CCC3C4[C@@]([C@@](CC4)(C#C)O)(CCC23)C)c1F
SPLASH splash10-001i-0092000000-d45bc84bac3c1bf6156c
Source of Spectrum E1-36-3064-5
Wiley ID 1574779