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Guattegaumerine

View entire compound with spectra: 2 MS (GC)

Guattegaumerine
SpectraBase Compound ID ChRxG1nDsR
InChI InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey FDABVSXGAMFQQH-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 11UEMPturVE
Name Guattegaumerine
Alternate Name(s) Pedroamine (1R)-1-[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]benzyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1R)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1R)-6-methoxy-1-[[4-[5-[[(1R)-6-methoxy-2-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-oxidanyl-phenoxy]phenyl]methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
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Formula C36H40N2O6
InChI InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30-/m1/s1
InChIKey FDABVSXGAMFQQH-LOYHVIPDSA-N
Molecular Weight 596.724 g/mol
SMILES Oc1c(cc2c([C@@](Cc3ccc(c(c3)Oc3ccc(C[C@@]4(c5c(cc(c(c5)O)OC)CCN4C)[H])cc3)O)(N(CC2)C)[H])c1)OC
SPLASH splash10-0006-0900000000-bc7d06dfae0e294f4ddc
Source of Spectrum X2-50-546-234
Wiley ID 1602304