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3,4-DIHYDROXY-5-(E,E,E-11'-FORMYL-3',7',15'-TRIMETHYLHEXADECA-2',6',10',14'-TETRAENYL)-BENZOIC-ACID;ARIEIANAL
SpectraBase Compound ID AbPOm0tT92o
InChI InChI=1S/C27H36O5/c1-19(2)8-5-12-22(18-28)13-7-11-20(3)9-6-10-21(4)14-15-23-16-24(27(31)32)17-25(29)26(23)30/h8-9,13-14,16-18,29-30H,5-7,10-12,15H2,1-4H3,(H,31,32)/b20-9+,21-14+,22-13-
InChIKey SBDYVFMWPOTKPV-RFIIEXOFSA-N
Mol Weight 440.6 g/mol
Molecular Formula C27H36O5
Exact Mass 440.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0JivZe7ruu
Name 3,4-DIHYDROXY-5-(E,E,E-11'-FORMYL-3',7',15'-TRIMETHYLHEXADECA-2',6',10',14'-TETRAENYL)-BENZOIC-ACID;ARIEIANAL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36O5
InChI InChI=1S/C27H36O5/c1-19(2)8-5-12-22(18-28)13-7-11-20(3)9-6-10-21(4)14-15-23-16-24(27(31)32)17-25(29)26(23)30/h8-9,13-14,16-18,29-30H,5-7,10-12,15H2,1-4H3,(H,31,32)/b20-9+,21-14+,22-13-
InChIKey SBDYVFMWPOTKPV-RFIIEXOFSA-N
Literature Reference Author T.P.GREEN,E.M.TREADWELL,D.F.WIEMER
Literature Reference Citation J.NAT.PROD.,62,367(1999)
Literature Reference DOI 10.1021/np980380q
Molecular Weight 440.580 g/mol
Solvent CDCl3
Source File Reference UWCP675