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2-[(2E,6E,10E)-15-hydroxy-14-keto-3,7,11,15-tetramethyl-hexadeca-2,6,10-trienyl]-6-methyl-p-benzoquinone
SpectraBase Compound ID BqGYd7aUR5H
InChI InChI=1S/C27H38O4/c1-19(10-8-12-21(3)14-16-25(29)27(5,6)31)9-7-11-20(2)13-15-23-18-24(28)17-22(4)26(23)30/h9,12-13,17-18,31H,7-8,10-11,14-16H2,1-6H3/b19-9+,20-13+,21-12+
InChIKey LPKUYLCNVCJPTL-HDHMXJLPSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9huv3FXbwsa
Name 2-[(2E,6E,10E)-15-hydroxy-14-keto-3,7,11,15-tetramethyl-hexadeca-2,6,10-trienyl]-6-methyl-p-benzoquinone
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-19(10-8-12-21(3)14-16-25(29)27(5,6)31)9-7-11-20(2)13-15-23-18-24(28)17-22(4)26(23)30/h9,12-13,17-18,31H,7-8,10-11,14-16H2,1-6H3/b19-9+,20-13+,21-12+
InChIKey LPKUYLCNVCJPTL-HDHMXJLPSA-N
Literature Reference Author J.MORI,M.IWASHIMA,H.WAKASUGI,H.SAITO,T.MATSUNAGA,M.OGASAWARA ,S.TAKAHASHI,H.SUZUK
Literature Reference Citation CHEM.PHARM.BULL.,53,1159(2005)
Literature Reference DOI 10.1248/cpb.53.1159
Molecular Weight 426.596 g/mol
Sample ID 54108
Solvent CDCl3