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16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-(p-Chlorophenyl)-hydrazone
SpectraBase Compound ID 7Aj0ImUusab
InChI InChI=1S/C26H33ClN2O/c1-4-5-25-24-12-6-18-16-21(30-3)11-13-22(18)23(24)14-15-26(25,2)17-28-29-20-9-7-19(27)8-10-20/h7-11,13,16-17,23-25,29H,4-6,12,14-15H2,1-3H3/b28-17+/t23-,24-,25+,26-/m1/s1
InChIKey XQNOLXCTTFVBGB-FQSHPURFSA-N
Mol Weight 425.0 g/mol
Molecular Formula C26H33ClN2O
Exact Mass 424.228141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZa5yTSkYfx
Name 16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-(p-Chlorophenyl)-hydrazone
Comments Less than 3 mono-isotopic peaks
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Formula C26H33ClN2O
InChI InChI=1S/C26H33ClN2O/c1-4-5-25-24-12-6-18-16-21(30-3)11-13-22(18)23(24)14-15-26(25,2)17-28-29-20-9-7-19(27)8-10-20/h7-11,13,16-17,23-25,29H,4-6,12,14-15H2,1-3H3/b28-17+/t23-,24-,25+,26-/m1/s1
InChIKey XQNOLXCTTFVBGB-FQSHPURFSA-N
Molecular Weight 425.016 g/mol
SMILES N(\N=C\[C@@]1([C@]([C@]2([C@@](c3c(CC2)cc(cc3)OC)(CC1)[H])[H])(CCC)[H])C)c1ccc(Cl)cc1
SPLASH splash10-0002-0090600000-c86cab231c1a6d09b3d1
Source of Spectrum U1-2009-3549-10j
Synonyms N-[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methylideneamino]-4-chloroaniline N-[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methyleneamino]-4-chloro-aniline N-[(E)-[(1S,2S,4aS,10aR)-7-methoxy-2-methyl-1-propyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-yl]methylideneamino]-4-chloranyl-aniline
Wiley ID 1696891