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PALLIDONE-D
SpectraBase Compound ID 4W9mGSumE4K
InChI InChI=1S/C25H34O6/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/h9-10,13-15,17,22,27H,7-8,11-12H2,1-6H3/b16-13+/t17-,22+,25+/m1/s1
InChIKey RCBZGJUPMKCDAF-WBQURHGQSA-N
Mol Weight 430.5 g/mol
Molecular Formula C25H34O6
Exact Mass 430.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9y80MoxVRNy
Name (3S,4R,5S)-3-(2-hydroxy-4-methoxy-benzoyl)-5-[(E)-6-keto-4,8-dimethyl-non-4-enyl]-4,5-dimethyl-tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O6
InChI InChI=1S/C25H34O6/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/h9-10,13-15,17,22,27H,7-8,11-12H2,1-6H3/b16-13+/t17-,22+,25+/m1/s1
InChIKey RCBZGJUPMKCDAF-WBQURHGQSA-N
Molecular Weight 430.541 g/mol
SMILES Oc1c(C([C@]2(C(O[C@]([C@@]2(C)[H])(CCC\C(=C\C(=O)CC(C)C)C)C)=O)[H])=O)ccc(OC)c1
SPLASH splash10-0fr6-9810000000-304c0d6f711ea86acd24
Source of Spectrum G4-63-440-4
Synonyms (3S,4R,5S)-5-[(E)-4,8-dimethyl-6-oxidanylidene-non-4-enyl]-3-(4-methoxy-2-oxidanyl-phenyl)carbonyl-4,5-dimethyl-oxolan-2-one (3S,4R,5S)-5-[(E)-4,8-dimethyl-6-oxo-non-4-enyl]-3-(2-hydroxy-4-methoxy-benzoyl)-4,5-dimethyl-tetrahydrofuran-2-one (3S,4R,5S)-5-[(E)-4,8-dimethyl-6-oxonon-4-enyl]-3-(2-hydroxy-4-methoxybenzoyl)-4,5-dimethyloxolan-2-one (3S,4R,5S)-5-[(E)-4,8-dimethyl-6-oxonon-4-enyl]-3-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-4,5-dimethyl-2-oxolanone
Wiley ID 1608336