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2'-nor-cultithalmine

View entire compound with spectra: 1 MS (GC)

2'-nor-cultithalmine
SpectraBase Compound ID HdOrhYLsuWB
InChI InChI=1S/C36H38N2O7/c1-38-14-12-23-26-19-32(35(42-3)33(23)40)45-34-24-11-13-37-27(25(24)18-31(41-2)36(34)43-4)15-20-5-8-22(9-6-20)44-30-17-21(16-28(26)38)7-10-29(30)39/h5-10,17-19,27-28,37,39-40H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKey BWJDHGFLYBRKSE-IZLXSDGUSA-N
Mol Weight 610.7 g/mol
Molecular Formula C36H38N2O7
Exact Mass 610.267902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I92d7tbjO7q
Name 2'-nor-cultithalmine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O7
InChI InChI=1S/C36H38N2O7/c1-38-14-12-23-26-19-32(35(42-3)33(23)40)45-34-24-11-13-37-27(25(24)18-31(41-2)36(34)43-4)15-20-5-8-22(9-6-20)44-30-17-21(16-28(26)38)7-10-29(30)39/h5-10,17-19,27-28,37,39-40H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKey BWJDHGFLYBRKSE-IZLXSDGUSA-N
Molecular Weight 610.707 g/mol
SMILES Oc1c(c2cc3[C@](Cc4cc(Oc5ccc(C[C@@]6(c7c(CCN6)c(O2)c(c(c7)OC)OC)[H])cc5)c(cc4)O)(N(CCc13)C)[H])OC
SPLASH splash10-0005-0905005000-34f5aee398c06323e2d8
Source of Spectrum X2-50-724-5
Wiley ID 1602371