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2'-Nor-Obaberine

View entire compound with spectra: 2 MS (GC)

2'-Nor-Obaberine
SpectraBase Compound ID AAWuN4MmvcV
InChI InChI=1S/C37H40N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,38H,12-17H2,1-5H3/t28-,29+/m0/s1
InChIKey RXWSPONNTAVWHK-URLMMPGGSA-N
Mol Weight 608.7 g/mol
Molecular Formula C37H40N2O6
Exact Mass 608.288637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XONDgLEfnx
Name 2'-Nor-Obaberine
Alternate Name(s) 2'-nor-baberine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40N2O6
InChI InChI=1S/C37H40N2O6/c1-39-15-13-24-19-31(41-3)33-21-27(24)29(39)17-23-8-11-30(40-2)32(18-23)44-26-9-6-22(7-10-26)16-28-35-25(12-14-38-28)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,38H,12-17H2,1-5H3/t28-,29+/m0/s1
InChIKey RXWSPONNTAVWHK-URLMMPGGSA-N
Molecular Weight 608.735 g/mol
SMILES N1CCc2cc(c(c3c2[C@@]1(Cc1ccc(Oc2cc(C[C@@]4(c5cc(O3)c(cc5CCN4C)OC)[H])ccc2OC)cc1)[H])OC)OC
SPLASH splash10-053u-0509017000-87cd27aeafa3880c47d3
Source of Spectrum X2-52-850-3
Wiley ID 1603175