John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1the5JVkYvt SpectraBase Spectrum ID=HpalKYBDyYW

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CHABROLOHYDROXYBENZOQUINONE_G
SpectraBase Compound ID 1the5JVkYvt
InChI InChI=1S/C29H44O6/c1-20(2)10-8-16-29(7,34)27(35-23(5)30)13-12-21(3)11-9-15-28(6,33)17-14-24-19-25(31)22(4)18-26(24)32/h10-11,14,17-19,27,31-34H,8-9,12-13,15-16H2,1-7H3/b17-14-,21-11+/t27-,28?,29+/m0/s1
InChIKey IWXGRDWGOJXZGA-CGLVRYAKSA-N
Mol Weight 488.7 g/mol
Molecular Formula C29H44O6
Exact Mass 488.313789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpalKYBDyYW
Name CHABROLOHYDROXYBENZOQUINONE_G
Compound Number 8
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O6
InChI InChI=1S/C29H44O6/c1-20(2)10-8-16-29(7,34)27(35-23(5)30)13-12-21(3)11-9-15-28(6,33)17-14-24-19-25(31)22(4)18-26(24)32/h10-11,14,17-19,27,31-34H,8-9,12-13,15-16H2,1-7H3/b17-14-,21-11+/t27-,28?,29+/m0/s1
InChIKey IWXGRDWGOJXZGA-CGLVRYAKSA-N
Literature Reference Author J.H.SU,A.F.AHMED,P.J.SUNG,Y.C.WU,J.H.SHEU
Literature Reference Citation J.NAT.PROD.,68,1651(2005)
Literature Reference DOI 10.1021/np050278a
Molecular Weight 488.665 g/mol
Solvent CDCl3
Source File Reference UWMZ13100
SpectraBase Batch ID 4OtHqfKcQ70