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(2Z,6E,10E)-12-(2,5-DIHYDROXY-3-METHYLPHENYL)-6,10-DIMETHYL-2-(4-METHYLPENT-3-ENYL)-DODECA-2,6,10-TRIENOIC-ACID-SARGAHYDROQUINOIC-ACID
SpectraBase Compound ID 1jGeFJyKO3H
InChI InChI=1S/C27H38O4/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)17-22(5)26(24)29/h9-10,14-15,17-18,28-29H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-
InChIKey ASCPFLQSHKBTRD-FWXQPYBBSA-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 5LELeT5EC7o
Name (2Z,6E,10E)-12-(2,5-DIHYDROXY-3-METHYLPHENYL)-6,10-DIMETHYL-2-(4-METHYLPENT-3-ENYL)-DODECA-2,6,10-TRIENOIC-ACID-SARGAHYDROQUINOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/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)17-22(5)26(24)29/h9-10,14-15,17-18,28-29H,6-8,11-13,16H2,1-5H3,(H,30,31)/b20-10+,21-15+,23-14-
InChIKey ASCPFLQSHKBTRD-FWXQPYBBSA-N
Literature Reference Author P.REDDY,S.URBAN
Literature Reference Citation PHYTOCHEM.,70,250(2009)
Literature Reference DOI 10.1016/j.phytochem.2008.12.007
Molecular Weight 426.596 g/mol
Sample ID 64505
Solvent CDCl3