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O,O-Dimethyl-pampulhamine

View entire compound with spectra: 1 MS (GC)

O,O-Dimethyl-pampulhamine
SpectraBase Compound ID LfLHmPcCj6U
InChI InChI=1S/C38H44N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-9-12-33(41-2)38(19-25)46-28-10-7-24(8-11-28)17-31-29-22-36(44-5)34(42-3)20-26(29)13-15-39-31/h7-12,19-23,31-32,39H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey IUALMDJBFWMRDF-ROJLCIKYSA-N
Mol Weight 624.8 g/mol
Molecular Formula C38H44N2O6
Exact Mass 624.319937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Y0IoTgQ3dD
Name O,O-Dimethyl-pampulhamine
Alternate Name(s) (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxy-phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
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Formula C38H44N2O6
InChI InChI=1S/C38H44N2O6/c1-40-16-14-27-21-35(43-4)37(45-6)23-30(27)32(40)18-25-9-12-33(41-2)38(19-25)46-28-10-7-24(8-11-28)17-31-29-22-36(44-5)34(42-3)20-26(29)13-15-39-31/h7-12,19-23,31-32,39H,13-18H2,1-6H3/t31-,32-/m1/s1
InChIKey IUALMDJBFWMRDF-ROJLCIKYSA-N
Molecular Weight 624.778 g/mol
SMILES N1CCc2cc(c(cc2[C@]1(Cc1ccc(Oc2cc(C[C@@]3(c4c(cc(c(c4)OC)OC)CCN3C)[H])ccc2OC)cc1)[H])OC)OC
SPLASH splash10-0a4i-0290000000-e648075882fcd5b36430
Source of Spectrum X2-50-913-2
Wiley ID 1602471