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15-(Pyridin-4-ylmethylene)- 17.alpha.-methyl-18-nor-5.alpha.,13.alpha.-androstan-16-one
SpectraBase Compound ID 7FD5B866Jqe
InChI InChI=1S/C25H33NO/c1-16-19-8-9-22-20(7-6-18-5-3-4-12-25(18,22)2)23(19)21(24(16)27)15-17-10-13-26-14-11-17/h10-11,13-16,18-20,22-23H,3-9,12H2,1-2H3/t16-,18+,19-,20+,22-,23+,25-/m0/s1
InChIKey BBNNIGRAYSFHCT-IHBWOBNNSA-N
Mol Weight 363.5 g/mol
Molecular Formula C25H33NO
Exact Mass 363.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5WXCOQPr5g
Name 15-(Pyridin-4-ylmethylene)- 17.alpha.-methyl-18-nor-5.alpha.,13.alpha.-androstan-16-one
Appearance White powder
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Exact Mass 363.256214686 u
Formula C25H33NO
GC Column SBA-15 (30 m)
InChI InChI=1S/C25H33NO/c1-16-19-8-9-22-20(7-6-18-5-3-4-12-25(18,22)2)23(19)21(24(16)27)15-17-10-13-26-14-11-17/h10-11,13-16,18-20,22-23H,3-9,12H2,1-2H3/t16-,18+,19-,20+,22-,23+,25-/m0/s1
InChIKey BBNNIGRAYSFHCT-IHBWOBNNSA-N
Instrument Name Shimadzu GCMS-QP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202300560
Molecular Weight 363.545 g/mol
Quality 933
Reported Formula C25H33NO
SMILES C1C[C@]2([C@](CC1)(CC[C@@]1([C@@]2(CC[C@@]2([C@]1(C(C([C@]2(C)[H])=O)=CC1=CC=NC=C1)[H])[H])[H])[H])[H])C
SPLASH splash10-07c6-9531000000-08b04d9ec3e0b36acc24
Source of Spectrum K1-26-SM23-3e (DOI: 10.1002/ejoc.202300560)
Thin-Layer Chromatography 0.45 (silica, toluene/MeOH, 12:1)
Wiley ID 1911438