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Malekulatine

View entire compound with spectra: 1 MS (GC)

Malekulatine
SpectraBase Compound ID 8FEAYbNOcu8
InChI InChI=1S/C39H46N2O8/c1-40-12-11-25-18-37(47-6)39(21-28(25)29(40)14-23-8-9-33(44-3)31(42)15-23)49-34-22-38(48-7)36(46-5)19-26(34)16-30-27-20-32(43)35(45-4)17-24(27)10-13-41(30)2/h8-9,15,17-22,29-30,42-43H,10-14,16H2,1-7H3/t29-,30-/m0/s1
InChIKey LZUAWASJLVYVGM-KYJUHHDHSA-N
Mol Weight 670.8 g/mol
Molecular Formula C39H46N2O8
Exact Mass 670.325416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lNS34dhdav
Name Malekulatine
Alternate Name(s) (1S)-1-[[2-[[(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-4,5-dimethoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1S)-1-[[2-[[(1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-4,5-dimethoxy-phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (1S)-1-[[4,5-dimethoxy-2-[[(1S)-6-methoxy-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
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Formula C39H46N2O8
InChI InChI=1S/C39H46N2O8/c1-40-12-11-25-18-37(47-6)39(21-28(25)29(40)14-23-8-9-33(44-3)31(42)15-23)49-34-22-38(48-7)36(46-5)19-26(34)16-30-27-20-32(43)35(45-4)17-24(27)10-13-41(30)2/h8-9,15,17-22,29-30,42-43H,10-14,16H2,1-7H3/t29-,30-/m0/s1
InChIKey LZUAWASJLVYVGM-KYJUHHDHSA-N
Molecular Weight 670.803 g/mol
SMILES Oc1c(cc2c([C@](Cc3c(Oc4cc5[C@](Cc6cc(c(cc6)OC)O)(N(CCc5cc4OC)C)[H])cc(c(c3)OC)OC)(N(CC2)C)[H])c1)OC
SPLASH splash10-0006-0900000000-e0cd8b98a83a284e252f
Source of Spectrum X2-50-548-238
Wiley ID 1602337