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Geraldoamine

View entire compound with spectra: 2 MS (GC)

Geraldoamine
SpectraBase Compound ID EBB3H6u3wMQ
InChI InChI=1S/C37H42N2O6/c1-39-15-13-26-19-34(42-3)32(40)21-29(26)31(39)17-24-8-11-33(41-2)37(18-24)45-27-9-6-23(7-10-27)16-30-28-22-36(44-5)35(43-4)20-25(28)12-14-38-30/h6-11,18-22,30-31,38,40H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKey LLXUFEAGHGDYAT-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 CmhnlcUwsww
Name Geraldoamine
Alternate Name(s) (1R)-1-[[3-[4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-4-methoxyphenyl]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-methoxy-phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H42N2O6
InChI InChI=1S/C37H42N2O6/c1-39-15-13-26-19-34(42-3)32(40)21-29(26)31(39)17-24-8-11-33(41-2)37(18-24)45-27-9-6-23(7-10-27)16-30-28-22-36(44-5)35(43-4)20-25(28)12-14-38-30/h6-11,18-22,30-31,38,40H,12-17H2,1-5H3/t30-,31-/m1/s1
InChIKey LLXUFEAGHGDYAT-FIRIVFDPSA-N
Molecular Weight 610.751 g/mol
SMILES Oc1c(cc2c([C@@](Cc3cc(Oc4ccc(C[C@@]5(c6cc(OC)c(cc6CCN5)OC)[H])cc4)c(cc3)OC)(N(CC2)C)[H])c1)OC
SPLASH splash10-0006-0900000000-97ebc9d0291b05bbb065
Source of Spectrum X2-50-914-5
Wiley ID 1602410