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2'-Nor-Limacine

View entire compound with spectra: 2 MS (GC)

2'-Nor-Limacine
SpectraBase Compound ID 29nhe3tdRiN
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)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m1/s1
InChIKey QRSIKBXDEMEDLL-VSGBNLITSA-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 IDa55kcB9aF
Name 2'-Nor-Limacine
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)15-27-26-20-32(44-36)30(41-3)18-23(26)11-13-37-27/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m1/s1
InChIKey QRSIKBXDEMEDLL-VSGBNLITSA-N
Molecular Weight 594.708 g/mol
SMILES Oc1c(cc2CCN([C@]3(c2c1Oc1cc2[C@@](Cc4ccc(Oc5cc(C3)ccc5OC)cc4)(NCCc2cc1OC)[H])[H])C)OC
SPLASH splash10-0006-0002090000-377bd6af72f5e0ab9c91
Source of Spectrum X2-56-1992-1
Wiley ID 1605220