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Chabrolohydroxybenzoquinone B

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Chabrolohydroxybenzoquinone B
SpectraBase Compound ID 68Kcb7rhFQY
InChI InChI=1S/C28H40O5/c1-20(2)10-7-13-23(27(31)33-6)14-8-11-21(3)12-9-16-28(5,32)17-15-24-19-25(29)22(4)18-26(24)30/h10,12,14-15,17-19,29-30,32H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,23-14+
InChIKey WPIXESJVBMTAJK-CABCBHDDSA-N
Mol Weight 456.6 g/mol
Molecular Formula C28H40O5
Exact Mass 456.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLjliKEzq1I
Name CHABROLOHYDROXYBENZOQUINONE-B
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O5
InChI InChI=1S/C28H40O5/c1-20(2)10-7-13-23(27(31)33-6)14-8-11-21(3)12-9-16-28(5,32)17-15-24-19-25(29)22(4)18-26(24)30/h10,12,14-15,17-19,29-30,32H,7-9,11,13,16H2,1-6H3/b17-15-,21-12+,23-14+
InChIKey WPIXESJVBMTAJK-CABCBHDDSA-N
Literature Reference Author J.H.SHEU,J.H.SU,P.J.SUNG,G.H.WANG,C.F.DAI
Literature Reference Citation J.NAT.PROD.,67,2048(2004)
Literature Reference DOI 10.1021/np0401314
Molecular Weight 456.623 g/mol
Solvent CDCl3
Source File Reference UWMZ6847