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Nor-thalictine

View entire compound with spectra: 1 MS (GC)

Nor-thalictine
SpectraBase Compound ID BDx9n2mlVBm
InChI InChI=1S/C36H38N2O6/c1-38-14-12-23-18-32(40-2)33-19-26(23)29(38)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-28-27-20-34(41-3)36(42-4)35(44-33)25(27)11-13-37-28/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29-/m0/s1
InChIKey JFENRTRMZSVTMN-VMPREFPWSA-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 EF2B5uE8HNI
Name Nor-thalictine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-38-14-12-23-18-32(40-2)33-19-26(23)29(38)16-22-7-10-30(39)31(17-22)43-24-8-5-21(6-9-24)15-28-27-20-34(41-3)36(42-4)35(44-33)25(27)11-13-37-28/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29-/m0/s1
InChIKey JFENRTRMZSVTMN-VMPREFPWSA-N
Molecular Weight 594.708 g/mol
SMILES N1[C@]2(Cc3ccc(Oc4cc(ccc4O)C[C@]4(c5cc(Oc6c(c2cc(c6OC)OC)CC1)c(cc5CCN4C)OC)[H])cc3)[H]
SPLASH splash10-0006-0102090000-76fd7eb77bf2517cf816
Source of Spectrum X2-49-492-7
Wiley ID 1601906