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2'-nor-daurisoline

View entire compound with spectra: 2 MS (GC)

2'-nor-daurisoline
SpectraBase Compound ID 96MR9OWswt8
InChI InChI=1S/C36H40N2O6/c1-38-14-12-25-18-33(41-2)32(40)20-28(25)30(38)16-23-7-10-31(39)34(17-23)44-26-8-5-22(6-9-26)15-29-27-21-36(43-4)35(42-3)19-24(27)11-13-37-29/h5-10,17-21,29-30,37,39-40H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey AIFMEJGBSFZMJP-LOYHVIPDSA-N
Mol Weight 596.7 g/mol
Molecular Formula C36H40N2O6
Exact Mass 596.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSsdWPp5uWO
Name 2'-nor-daurisoline
Alternate Name(s) Pampulhamine (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-hydroxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-hydroxy-phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-oxidanyl-phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Comments Less than 3 mono-isotopic peaks
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Formula C36H40N2O6
InChI InChI=1S/C36H40N2O6/c1-38-14-12-25-18-33(41-2)32(40)20-28(25)30(38)16-23-7-10-31(39)34(17-23)44-26-8-5-22(6-9-26)15-29-27-21-36(43-4)35(42-3)19-24(27)11-13-37-29/h5-10,17-21,29-30,37,39-40H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey AIFMEJGBSFZMJP-LOYHVIPDSA-N
Molecular Weight 596.724 g/mol
SMILES Oc1c(cc2c([C@@](Cc3ccc(c(c3)Oc3ccc(C[C@@]4(c5cc(OC)c(cc5CCN4)OC)[H])cc3)O)(N(CC2)C)[H])c1)OC
SPLASH splash10-0006-0900000000-cbe9a1df733bf45cd1ef
Source of Spectrum X2-50-913-1
Wiley ID 1602472