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(+)-Almuheptolide-A [(4R,5R,6R,7R,8R)-4,5-Diethoxy-6,7-dihydroxy-8-phenyl-1-oxaoctan-2-one]
SpectraBase Compound ID JfqQ6vN4nK9
InChI InChI=1S/C17H24O6/c1-3-21-12-10-13(18)23-16(11-8-6-5-7-9-11)14(19)15(20)17(12)22-4-2/h5-9,12,14-17,19-20H,3-4,10H2,1-2H3/t12-,14+,15+,16-,17-/m1/s1
InChIKey SQYLKABADVTAFS-UVLCOCDESA-N
Mol Weight 324.37 g/mol
Molecular Formula C17H24O6
Exact Mass 324.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdLQYO7ft46
Name (+)-Almuheptolide-A [(4R,5R,6R,7R,8R)-4,5-Diethoxy-6,7-dihydroxy-8-phenyl-1-oxaoctan-2-one]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O6
InChI InChI=1S/C17H24O6/c1-3-21-12-10-13(18)23-16(11-8-6-5-7-9-11)14(19)15(20)17(12)22-4-2/h5-9,12,14-17,19-20H,3-4,10H2,1-2H3/t12-,14+,15+,16-,17-/m1/s1
InChIKey SQYLKABADVTAFS-UVLCOCDESA-N
Molecular Weight 324.373 g/mol
SMILES O[C@]1([C@@]([C@@]([C@@](CC(O[C@@]1(c1ccccc1)[H])=O)(OCC)[H])(OCC)[H])(O)[H])[H]
SPLASH splash10-0hiw-4930000000-e2f60d54a624dc775323
Source of Spectrum F2-41-5164-1
Synonyms (4R,5S,6S,7S,8R)-4,5-diethoxy-6,7-dihydroxy-8-phenyl-2-oxocanone (4R,5S,6S,7S,8R)-4,5-diethoxy-6,7-dihydroxy-8-phenyloxocan-2-one (4R,5S,6S,7S,8R)-4,5-diethoxy-6,7-bis(oxidanyl)-8-phenyl-oxocan-2-one
Wiley ID 1599942