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3-[(2E,6E,10E)-11-CARBOXY-3,7,15-TRIMETHYL-2,6,10,14-HEXADECATETRAENYL]-4,5-DIHYDROXYBENZOIC-ACID
SpectraBase Compound ID E1mmRnpi7AV
InChI InChI=1S/C27H36O6/c1-18(2)8-5-12-21(26(30)31)13-7-11-19(3)9-6-10-20(4)14-15-22-16-23(27(32)33)17-24(28)25(22)29/h8-9,13-14,16-17,28-29H,5-7,10-12,15H2,1-4H3,(H,30,31)(H,32,33)/b19-9+,20-14+,21-13+
InChIKey IGCAVCQVYYCKOV-HBZGUYFNSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51miduM0Dr1
Name 3,4-DIHYDROXY-5-[11'-CARBOXYL-3',7',15'-TRIMETHYLHEXADECA-(2'E),(6'E),(10'E),14'-TETRAENYL]-BENZOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-18(2)8-5-12-21(26(30)31)13-7-11-19(3)9-6-10-20(4)14-15-22-16-23(27(32)33)17-24(28)25(22)29/h8-9,13-14,16-17,28-29H,5-7,10-12,15H2,1-4H3,(H,30,31)(H,32,33)/b19-9+,20-14+,21-13+
InChIKey IGCAVCQVYYCKOV-HBZGUYFNSA-N
Literature Reference Author H.D.S.ALVES,M.D.F.V.D.SOUZA,M.C.D.O.CHAVES
Literature Reference Citation QUIM.NOVA,33,802(2010)
Literature Reference DOI 10.1590/s0100-40422010000400007
Molecular Weight 456.579 g/mol
Solvent C5D5N
Source File Reference UWBT11920