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Isodaurisoline

View entire compound with spectra: 1 MS (GC)

Isodaurisoline
SpectraBase Compound ID DXmnKQuYoNg
InChI InChI=1S/C37H42N2O6/c1-38-14-12-25-19-34(42-3)33(41)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKey VMGXSDYPKKPINM-FIRIVFDPSA-N
Mol Weight 610.8 g/mol
Molecular Formula C37H42N2O6
Exact Mass 610.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9ZajZdnUJA
Name Isodaurisoline
Alternate Name(s) (1R)-1-[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxy-phenoxy]benzyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxy-phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-oxidanyl-phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
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Formula C37H42N2O6
InChI InChI=1S/C37H42N2O6/c1-38-14-12-25-19-34(42-3)33(41)21-28(25)30(38)16-23-6-9-27(10-7-23)45-35-18-24(8-11-32(35)40)17-31-29-22-37(44-5)36(43-4)20-26(29)13-15-39(31)2/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKey VMGXSDYPKKPINM-FIRIVFDPSA-N
Molecular Weight 610.751 g/mol
SMILES Oc1c(cc2c([C@@](Cc3ccc(Oc4cc(ccc4O)C[C@@]4(c5c(cc(c(c5)OC)OC)CCN4C)[H])cc3)(N(CC2)C)[H])c1)OC
SPLASH splash10-0a4l-0890000000-ce5309fccd741f60605e
Source of Spectrum X2-50-547-235
Wiley ID 1602303