John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8AUOpj3cWFk SpectraBase Spectrum ID=1DWruIlG9I2

(accessed ).
TRANS-ANNOCHERINONE
SpectraBase Compound ID 8AUOpj3cWFk
InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-13-16-19-31(38)33-23-24-34(42-33)32(39)20-17-14-11-12-15-18-29(37)21-22-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+/m1/s1
InChIKey VOXALDFCQMPBNK-CXXXYOACSA-N
Mol Weight 594.9 g/mol
Molecular Formula C35H62O7
Exact Mass 594.449555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DWruIlG9I2
Name TRANS-ANNOCHERINONE
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H62O7
InChI InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-13-16-19-31(38)33-23-24-34(42-33)32(39)20-17-14-11-12-15-18-29(37)21-22-30-26-28(25-27(2)36)35(40)41-30/h28,30-34,38-39H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+/m1/s1
InChIKey VOXALDFCQMPBNK-CXXXYOACSA-N
Literature Reference Author M.H.WOO,D.H.KIM,S.S.FOTOPOULOS,J.L.MCLAUGHLIN
Literature Reference Citation J.NAT.PROD.,62,1250(1999)
Literature Reference DOI 10.1021/np990135m
Molecular Weight 594.873 g/mol
Solvent CDCl3
Source File Reference UWMZ2525
SpectraBase Batch ID Cq6NG83FjRK