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3-[(2E,6E,10E)-11-CARBOXY-13-HYDROXY-3,7,15-TRIMETHYL-2,6,10,14-HEXADECATETRAENYL]-4,5-DIHYDROXYBENZOIC-ACID
SpectraBase Compound ID AWDd7jkhpRP
InChI InChI=1S/C27H36O7/c1-17(2)13-23(28)15-21(26(31)32)10-6-9-18(3)7-5-8-19(4)11-12-20-14-22(27(33)34)16-24(29)25(20)30/h7,10-11,13-14,16,23,28-30H,5-6,8-9,12,15H2,1-4H3,(H,31,32)(H,33,34)/b18-7+,19-11+,21-10-
InChIKey DSQUGJQRKXTUOK-SVZDIVSZSA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H36O7
Exact Mass 472.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C0LLsknaYI4
Name 3-[(2E,6E,10E)-11-CARBOXY-13-HYDROXY-3,7,15-TRIMETHYL-2,6,10,14-HEXADECATETRAENYL]-4,5-DIHYDROXYBENZOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O7
InChI InChI=1S/C27H36O7/c1-17(2)13-23(28)15-21(26(31)32)10-6-9-18(3)7-5-8-19(4)11-12-20-14-22(27(33)34)16-24(29)25(20)30/h7,10-11,13-14,16,23,28-30H,5-6,8-9,12,15H2,1-4H3,(H,31,32)(H,33,34)/b18-7+,19-11+,21-10-
InChIKey DSQUGJQRKXTUOK-SVZDIVSZSA-N
Literature Reference Author N.FLORES,I.A.JIMENEZ,A.GIMENEZ,G.RUIZ,D.GUTIERREZ,G.BOURDY,I .L.BAZZOCCHI
Literature Reference Citation PHYTOCHEM.,70,621(2009)
Literature Reference DOI 10.1016/j.phytochem.2009.03.010
Molecular Weight 472.579 g/mol
Sample ID 64631
Solvent CDCl3