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(8R,9R,11S,12R,15R/S,5Z,13E)-8,12-OXA-9,11,15-TRIHYDROXY-5,13-EICOSADIENOIC ACID, METHYL ESTER (C15-EPIMER MIXTURE)
SpectraBase Compound ID LfpLQ12h5TD
InChI InChI=1S/C29H52O10/c1-5-6-9-12-24(30)15-16-26-28(38-23-36-20-18-33-3)21-27(37-22-35-19-17-32-2)25(39-26)13-10-7-8-11-14-29(31)34-4/h7,10,15-16,24-28,30H,5-6,8-9,11-14,17-23H2,1-4H3/b10-7-,16-15+/t24?,25-,26-,27-,28+/m0/s1
InChIKey MBKNZZAPJRXDAJ-ORFPSGJXSA-N
Mol Weight 560.7 g/mol
Molecular Formula C29H52O10
Exact Mass 560.356048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Crf3EUCIrTT
Name (8R,9R,11S,12R,15R/S,5Z,13E)-8,12-OXA-9,11,15-TRIHYDROXY-5,13-EICOSADIENOIC ACID, METHYL ESTER (C15-EPIMER MIXTURE)
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Formula C29H52O10
InChI InChI=1S/C29H52O10/c1-5-6-9-12-24(30)15-16-26-28(38-23-36-20-18-33-3)21-27(37-22-35-19-17-32-2)25(39-26)13-10-7-8-11-14-29(31)34-4/h7,10,15-16,24-28,30H,5-6,8-9,11-14,17-23H2,1-4H3/b10-7-,16-15+/t24?,25-,26-,27-,28+/m0/s1
InChIKey MBKNZZAPJRXDAJ-ORFPSGJXSA-N
Instrument Name Jeol FX-90
Literature Reference O.F.PROKOPENKO, A.G.TOLSTIKOV, G.A.TOLSTIKOV (1992) Izv.Akad.Nauk SSSR(Russ.Lang.): N5, 1232-1233.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d