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(+/-)-APOTACAMINE
SpectraBase Compound ID axDPsbd0Q8
InChI InChI=1S/C21H24N2O2/c1-3-13-10-14-11-18(21(24)25-2)23-17-7-5-4-6-15(17)16-8-9-22(12-13)19(14)20(16)23/h4-7,11,13-14,19H,3,8-10,12H2,1-2H3/t13-,14?,19?/m1/s1
InChIKey HUJHMNHVYIYOMD-VFPJAPOESA-N
Mol Weight 336.44 g/mol
Molecular Formula C21H24N2O2
Exact Mass 336.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID geiBBbx0qD
Name Epi-apotacamine
Alternate Name(s) Methyl (2R)-2-ethyl-2,3,5,6,13a,13b-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
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Formula C21H24N2O2
InChI InChI=1S/C21H24N2O2/c1-3-13-10-14-11-18(21(24)25-2)23-17-7-5-4-6-15(17)16-8-9-22(12-13)19(14)20(16)23/h4-7,11,13-14,19H,3,8-10,12H2,1-2H3/t13-,14?,19?/m1/s1
InChIKey HUJHMNHVYIYOMD-VFPJAPOESA-N
Molecular Weight 336.435 g/mol
SMILES c12[n]3C(=CC4C1N(CCc2c1c3cccc1)C[C@@](C4)(CC)[H])C(=O)OC
SPLASH splash10-000f-0094000000-16818380b698126eaf22
Source of Spectrum U-1995-1387-8
Wiley ID 767414