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3-Methoxy-17a-aza-13.alpha.-homoestra-1,3,5(10)-trien-17-one
SpectraBase Compound ID HwAJ5xI39BP
InChI InChI=1S/C19H25NO2/c1-19-8-7-17-15-6-4-14(22-2)9-12(15)3-5-16(17)13(11-19)10-18(21)20-19/h4,6,9,13,16-17H,3,5,7-8,10-11H2,1-2H3,(H,20,21)/t13-,16+,17-,19-/m1/s1
InChIKey BXYIWYFXSWQRJV-WCMCAJIFSA-N
Mol Weight 299.41 g/mol
Molecular Formula C19H25NO2
Exact Mass 299.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4MocFQPGka
Name 3-Methoxy-17a-aza-13.alpha.-homoestra-1,3,5(10)-trien-17-one
Alternate Name(s) (1S,2S,11S,14R)-7-methoxy-14-methyl-15-azatetracyclo[12.3.1.0(2,11).0(5,10)]octadeca-5,7,9-trien-16-one
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Formula C19H25NO2
InChI InChI=1S/C19H25NO2/c1-19-8-7-17-15-6-4-14(22-2)9-12(15)3-5-16(17)13(11-19)10-18(21)20-19/h4,6,9,13,16-17H,3,5,7-8,10-11H2,1-2H3,(H,20,21)/t13-,16+,17-,19-/m1/s1
InChIKey BXYIWYFXSWQRJV-WCMCAJIFSA-N
Molecular Weight 299.414 g/mol
SMILES N1C(C[C@]2([C@@]3(CCc4c([C@]3(CC[C@@]1(C2)C)[H])ccc(c4)OC)[H])[H])=O
SPLASH splash10-000t-0291000000-e74ff2b92613d4039984
Source of Spectrum KD-14-1931-8
Wiley ID 1636092