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(+)-Almuheptolide-B [(4R,5R,6R,7R,8R)-5-ethoxy-6,7-dihydroxy-8-phenyl-1-oxaoctan-2-one]
SpectraBase Compound ID Eh1lBTRynue
InChI InChI=1S/C15H20O5/c1-2-19-11-8-9-12(16)20-15(14(18)13(11)17)10-6-4-3-5-7-10/h3-7,11,13-15,17-18H,2,8-9H2,1H3/t11-,13-,14+,15-/m1/s1
InChIKey KCPHXCWYGWNFND-REBRKWNGSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kZJmOrHAD7
Name (+)-Almuheptolide-B [(4R,5R,6R,7R,8R)-5-ethoxy-6,7-dihydroxy-8-phenyl-1-oxaoctan-2-one]
Alternate Name(s) (5R,6S,7S,8R)-5-ethoxy-6,7-dihydroxy-8-phenyl-2-oxocanone (5R,6S,7S,8R)-5-ethoxy-6,7-dihydroxy-8-phenyloxocan-2-one (5R,6S,7S,8R)-5-ethoxy-6,7-bis(oxidanyl)-8-phenyl-oxocan-2-one
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Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-2-19-11-8-9-12(16)20-15(14(18)13(11)17)10-6-4-3-5-7-10/h3-7,11,13-15,17-18H,2,8-9H2,1H3/t11-,13-,14+,15-/m1/s1
InChIKey KCPHXCWYGWNFND-REBRKWNGSA-N
Molecular Weight 280.320 g/mol
SMILES O[C@@]1([C@@](CCC(O[C@@]([C@]1(O)[H])(c1ccccc1)[H])=O)(OCC)[H])[H]
SPLASH splash10-052f-9420000000-59ce9146b5a9081970f7
Source of Spectrum F2-41-5164-2
Wiley ID 1599941