John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Jgnpzfp08i9 SpectraBase Spectrum ID=Lf8RLZPX48m

(accessed ).
CHABROLOBENZOQUINONE-A
SpectraBase Compound ID Jgnpzfp08i9
InChI InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+
InChIKey MMLRYQXCAKDHJW-PIIINLNPSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lf8RLZPX48m
Name CHABROLOBENZOQUINONE-A
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-19(2)9-6-13-23(27(30)31)14-8-12-20(3)10-7-11-21(4)15-16-24-18-25(28)22(5)17-26(24)29/h9-10,14-15,17-18H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14+
InChIKey MMLRYQXCAKDHJW-PIIINLNPSA-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 424.580 g/mol
Solvent CDCl3
Source File Reference UWMZ6850
SpectraBase Batch ID HWOJY13lisk