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(-)-(5R,12S)-N-Methyl-2,3,8,9-tetramethoxyisopavinane [(-)-O-Methylthalisopavine]
SpectraBase Compound ID KxvynYAGcJ0
InChI InChI=1S/C21H25NO4/c1-22-11-15-13-6-7-17(23-2)21(26-5)20(13)16(22)8-12-9-18(24-3)19(25-4)10-14(12)15/h6-7,9-10,15-16H,8,11H2,1-5H3/t15-,16-/m0/s1
InChIKey VFZQUEUJVWDAME-HOTGVXAUSA-N
Mol Weight 355.43 g/mol
Molecular Formula C21H25NO4
Exact Mass 355.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFMFnHSCan9
Name (-)-(5R,12S)-N-Methyl-2,3,8,9-tetramethoxyisopavinane [(-)-O-Methylthalisopavine]
Alternate Name(s) (1S,9R)-4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.6.2.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C21H25NO4
InChI InChI=1S/C21H25NO4/c1-22-11-15-13-6-7-17(23-2)21(26-5)20(13)16(22)8-12-9-18(24-3)19(25-4)10-14(12)15/h6-7,9-10,15-16H,8,11H2,1-5H3/t15-,16-/m0/s1
InChIKey VFZQUEUJVWDAME-HOTGVXAUSA-N
Molecular Weight 355.434 g/mol
SMILES c12[C@]3(N(C)C[C@@](c2ccc(c1OC)OC)(c1cc(OC)c(cc1C3)OC)[H])[H]
SPLASH splash10-0udi-0093000000-34319b2743766d5ebd09
Source of Spectrum J-62-6720-7
Wiley ID 1345351