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Methyl (R,S,R)-2-(2,6,10-Trimethyl-1(E),5(E),9-tridecatrienyl)-5-[(phenylmethoxy)methyl]-2,3,4,5-tetrahydro-3-furancarboxylate
SpectraBase Compound ID 1YXeFQsqmO6
InChI InChI=1S/C28H40O4/c1-21(2)11-9-12-22(3)13-10-14-23(4)17-27-26(28(29)30-5)18-25(32-27)20-31-19-24-15-7-6-8-16-24/h6-8,11,13,15-17,25-27H,9-10,12,14,18-20H2,1-5H3/b22-13+,23-17+/t25-,26-,27-/m1/s1
InChIKey FNVBYYFLLJUXEW-VSSMBARGSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GeEs1oi0p1
Name Methyl (R,S,R)-2-(2,6,10-Trimethyl-1(E),5(E),9-tridecatrienyl)-5-[(phenylmethoxy)methyl]-2,3,4,5-tetrahydro-3-furancarboxylate
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Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-21(2)11-9-12-22(3)13-10-14-23(4)17-27-26(28(29)30-5)18-25(32-27)20-31-19-24-15-7-6-8-16-24/h6-8,11,13,15-17,25-27H,9-10,12,14,18-20H2,1-5H3/b22-13+,23-17+/t25-,26-,27-/m1/s1
InChIKey FNVBYYFLLJUXEW-VSSMBARGSA-N
Molecular Weight 440.624 g/mol
SMILES [C@]1([C@](O[C@](C1)(COCc1ccccc1)[H])(\C=C\(CC\C=C\(CCC=C(C)C)C)C)[H])(C(=O)OC)[H]
SPLASH splash10-0uxv-0089500000-ae7848c00c03fa7d750f
Source of Spectrum J-62-6606-3
Synonyms (2R,3R,5R)-5-Benzyloxymethyl-2-((1E,5E)-2,6,10-trimethyl-undeca-1,5,9-trienyl)-tetrahydro-furan-3-carboxylic acid methyl ester (2R,3R,5R)-5-(phenylmethoxymethyl)-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]-3-oxolanecarboxylic acid methyl ester Methyl (2R,3R,5R)-5-(benzyloxymethyl)-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]tetrahydrofuran-3-carboxylate Methyl (2R,3R,5R)-5-(phenylmethoxymethyl)-2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]oxolane-3-carboxylate
Wiley ID 1384854