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3-[(2E,6E,10E)-11-CARBOXY-14-HYDROXY-3,7,15-TRIMETHYL-2,6,10,15-HEXADECATETRAENYL]-4,5-DIHYDROXYBENZOIC-ACID
SpectraBase Compound ID 1ToJHdjwzs5
InChI InChI=1S/C27H36O7/c1-17(2)23(28)14-13-20(26(31)32)10-6-9-18(3)7-5-8-19(4)11-12-21-15-22(27(33)34)16-24(29)25(21)30/h7,10-11,15-16,23,28-30H,1,5-6,8-9,12-14H2,2-4H3,(H,31,32)(H,33,34)/b18-7+,19-11+,20-10+
InChIKey ORYKFAZUHJGRGA-CSAUONGCSA-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 2wu3YXCi0EE
Name 3-[(2E,6E,10E)-11-CARBOXY-14-HYDROXY-3,7,15-TRIMETHYL-2,6,10,15-HEXADECATETRAENYL]-4,5-DIHYDROXYBENZOIC-ACID
Compound Number 3
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)23(28)14-13-20(26(31)32)10-6-9-18(3)7-5-8-19(4)11-12-21-15-22(27(33)34)16-24(29)25(21)30/h7,10-11,15-16,23,28-30H,1,5-6,8-9,12-14H2,2-4H3,(H,31,32)(H,33,34)/b18-7+,19-11+,20-10+
InChIKey ORYKFAZUHJGRGA-CSAUONGCSA-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 64632
Solvent CDCl3