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3,5-Dimethoxy-8-[2-[methyl-(phenylmethyl)amino]ethyl]phenanthrene-2,6-diol
SpectraBase Compound ID 4EgRoAjY9s3
InChI InChI=1S/C26H27NO4/c1-27(16-17-7-5-4-6-8-17)12-11-19-14-23(29)26(31-3)25-20(19)10-9-18-13-22(28)24(30-2)15-21(18)25/h4-10,13-15,28-29H,11-12,16H2,1-3H3
InChIKey KQKMGQCCMOXEFO-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C26H27NO4
Exact Mass 417.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtlIEjSI1fA
Name 3,5-Dimethoxy-8-[2-[methyl-(phenylmethyl)amino]ethyl]phenanthrene-2,6-diol
Alternate Name(s) 8-[2-[benzyl(methyl)amino]ethyl]-3,5-dimethoxy-phenanthrene-2,6-diol
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Formula C26H27NO4
InChI InChI=1S/C26H27NO4/c1-27(16-17-7-5-4-6-8-17)12-11-19-14-23(29)26(31-3)25-20(19)10-9-18-13-22(28)24(30-2)15-21(18)25/h4-10,13-15,28-29H,11-12,16H2,1-3H3
InChIKey KQKMGQCCMOXEFO-UHFFFAOYSA-N
Molecular Weight 417.505 g/mol
SMILES Oc1cc(c2c(c3c(cc(c(c3)OC)O)cc2)c1OC)CCN(Cc1ccccc1)C
SPLASH splash10-001l-5900000000-aa54a89743fbec64a227
Source of Spectrum AT-33-6310-5
Wiley ID 836361