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Nor-thaliphylline

View entire compound with spectra: 1 MS (GC)

Nor-thaliphylline
SpectraBase Compound ID 6ZHUvJDyFw0
InChI InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-30(41-3)32(44-36)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m0/s1
InChIKey SJKDMEDGZHVGBZ-NSOVKSMOSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H38N2O6
Exact Mass 594.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbudnK3aMpj
Name Nor-thaliphylline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-38-14-12-24-19-33(42-4)35(39)36-34(24)28(38)16-22-7-10-29(40-2)31(17-22)43-25-8-5-21(6-9-25)15-27-26-20-30(41-3)32(44-36)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m0/s1
InChIKey SJKDMEDGZHVGBZ-NSOVKSMOSA-N
Molecular Weight 594.708 g/mol
SMILES Oc1c2c3[C@](Cc4cc(Oc5ccc(C[C@]6(c7c(CCN6)cc(O2)c(c7)OC)[H])cc5)c(cc4)OC)(N(CCc3cc1OC)C)[H]
SPLASH splash10-0006-0618090000-b391f885b5eff172266f
Source of Spectrum X2-49-493-14
Wiley ID 1601900