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1-[4-(3-Oxocyclopentyl)-(E)-3-butenyl]-4,6-dimethyl-D-glucal
SpectraBase Compound ID 8kPxxQF7n9N
InChI InChI=1S/C17H26O5/c1-19-12-16-15(20-2)8-9-17(22-16)21-10-4-3-5-13-6-7-14(18)11-13/h3,5,8-9,13,15-17H,4,6-7,10-12H2,1-2H3/b5-3+/t13?,15-,16+,17?/m0/s1
InChIKey KUHSVFVLJSSZMB-ISQXASEYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PmtIZeXRYr
Name 1-[4-(3-Oxocyclopentyl)-(E)-3-butenyl]-4,6-dimethyl-D-glucal
Alternate Name(s) 1-[4-(3-Oxocyclopentyl)-(E)-3-butenyl]-4-methoxy-5-methylmethoxy-D-glucal 3-[(1E)-4-[(2R,3S,4R)-3,4-dihydroxy-2-(1-hydroxyethyl)-3-methyl-3,4-dihydro-2H-pyran-6-yl]but-1-en-1-yl]cyclopentan-1-one 3-[(E)-4-[[(2R,3S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]but-1-enyl]-1-cyclopentanone 3-[(E)-4-[[(2R,3S)-3-methoxy-2-(methoxymethyl)-3,6-dihydro-2H-pyran-6-yl]oxy]but-1-enyl]cyclopentan-1-one
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Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-19-12-16-15(20-2)8-9-17(22-16)21-10-4-3-5-13-6-7-14(18)11-13/h3,5,8-9,13,15-17H,4,6-7,10-12H2,1-2H3/b5-3+/t13?,15-,16+,17?/m0/s1
InChIKey KUHSVFVLJSSZMB-ISQXASEYSA-N
Molecular Weight 310.390 g/mol
SMILES [C@]1(OC(C=C[C@@]1(OC)[H])OCC\C=C\C1CC(=O)CC1)(COC)[H]
SPLASH splash10-0pba-9400000000-4ff5234e6202939819e2
Source of Spectrum C-116-11697-9
Wiley ID 1311521