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Berberilaurine

View entire compound with spectra: 1 MS (GC)

Berberilaurine
SpectraBase Compound ID 5qdmPNkc1yk
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-30(39)32-19-26(23)28(37)16-22-7-10-31(41-3)33(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(42-4)35(40)36(44-32)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m1/s1
InChIKey ZAPNXWOAXFPROC-WDYNHAJCSA-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 2rOMJxchNJq
Name Berberilaurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-37-13-11-23-18-30(39)32-19-26(23)28(37)16-22-7-10-31(41-3)33(17-22)43-24-8-5-21(6-9-24)15-29-27-20-34(42-4)35(40)36(44-32)25(27)12-14-38(29)2/h5-10,17-20,28-29,39-40H,11-16H2,1-4H3/t28-,29+/m1/s1
InChIKey ZAPNXWOAXFPROC-WDYNHAJCSA-N
Molecular Weight 594.708 g/mol
SMILES Oc1cc2CCN([C@]3(c2cc1Oc1c(c(cc2[C@](Cc4ccc(Oc5cc(C3)ccc5OC)cc4)(N(CCc12)C)[H])OC)O)[H])C
SPLASH splash10-00l6-0902010000-7c5f754fd28e4eb89362
Source of Spectrum X2-52-84-1
Wiley ID 1602995