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(-)-N-OXIDE-8-BENZYLBERBINE-B
SpectraBase Compound ID 2FaeAr5Vfxe
InChI InChI=1S/C31H35NO11/c1-41-24-12-16-8-9-32(40)20(19(16)13-22(24)35)11-17-4-7-23(42-31-30(39)29(38)28(37)25(14-33)43-31)27(36)26(17)21(32)10-15-2-5-18(34)6-3-15/h2-7,12-13,20-21,25,28-31,33-39H,8-11,14H2,1H3/t20-,21+,25-,28-,29+,30-,31-,32?/m1/s1
InChIKey TZLBCEHGVOBLAB-CPTVNVBYSA-N
Mol Weight 597.6 g/mol
Molecular Formula C31H35NO11
Exact Mass 597.221011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JGW35dGmTFy
Name (-)-N-OXIDE-8-BENZYLBERBINE-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H35NO11
InChI InChI=1S/C31H35NO11/c1-41-24-12-16-8-9-32(40)20(19(16)13-22(24)35)11-17-4-7-23(42-31-30(39)29(38)28(37)25(14-33)43-31)27(36)26(17)21(32)10-15-2-5-18(34)6-3-15/h2-7,12-13,20-21,25,28-31,33-39H,8-11,14H2,1H3/t20-,21+,25-,28-,29+,30-,31-,32?/m1/s1
InChIKey TZLBCEHGVOBLAB-CPTVNVBYSA-N
Literature Reference Author L.M.X.LOPES,E.HUMPFER
Literature Reference Citation PHYTOCHEM.,45,431(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00835-7
Molecular Weight 597.619 g/mol
Solvent CD3CN:D2O=7:3
Source File Reference UWSP1394