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PALLIDONE-H
SpectraBase Compound ID HTMuu4m6Q5s
InChI InChI=1S/C25H32O6/c1-15(2)12-18(26)13-16(3)8-7-11-25(5)17(4)22(24(29)31-25)23(28)20-10-9-19(30-6)14-21(20)27/h8-10,12,14,17,22,27H,7,11,13H2,1-6H3/b16-8+/t17-,22+,25+/m1/s1
InChIKey JCHUJOKQEYMWGU-OAXWNTOFSA-N
Mol Weight 428.5 g/mol
Molecular Formula C25H32O6
Exact Mass 428.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXzPett945d
Name (3S,4R,5S)-3-(2-hydroxy-4-methoxy-benzoyl)-5-[(3E)-6-keto-4,8-dimethyl-nona-3,7-dienyl]-4,5-dimethyl-tetrahydrofuran-2-one
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Formula C25H32O6
InChI InChI=1S/C25H32O6/c1-15(2)12-18(26)13-16(3)8-7-11-25(5)17(4)22(24(29)31-25)23(28)20-10-9-19(30-6)14-21(20)27/h8-10,12,14,17,22,27H,7,11,13H2,1-6H3/b16-8+/t17-,22+,25+/m1/s1
InChIKey JCHUJOKQEYMWGU-OAXWNTOFSA-N
Molecular Weight 428.525 g/mol
SMILES Oc1c(C([C@]2(C(O[C@]([C@@]2(C)[H])(CC\C=C\(CC(C=C(C)C)=O)C)C)=O)[H])=O)ccc(OC)c1
SPLASH splash10-0udi-8910300000-d64ccdf80f8c0309dab9
Source of Spectrum G4-63-521-2
Synonyms (3S,4R,5S)-5-[(3E)-4,8-dimethyl-6-oxidanylidene-nona-3,7-dienyl]-3-(4-methoxy-2-oxidanyl-phenyl)carbonyl-4,5-dimethyl-oxolan-2-one (3S,4R,5S)-5-[(3E)-4,8-dimethyl-6-oxo-nona-3,7-dienyl]-3-(2-hydroxy-4-methoxy-benzoyl)-4,5-dimethyl-tetrahydrofuran-2-one (3S,4R,5S)-5-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-3-(2-hydroxy-4-methoxybenzoyl)-4,5-dimethyloxolan-2-one (3S,4R,5S)-5-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-3-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-4,5-dimethyl-2-oxolanone
Wiley ID 1608352