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(4S,5R,10R)-4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione
SpectraBase Compound ID JMWkFuTYzKX
InChI InChI=1S/C11H18O5/c1-7-3-4-8(12)5-10(15-2)9(13)6-11(14)16-7/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,10-/m1/s1
InChIKey RKWVKFFFOYCNSI-FKTZTGRPSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QIqgaX5qOq
Name (4S,5R,10R)-4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione
Appearance Colorless gum
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Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-7-3-4-8(12)5-10(15-2)9(13)6-11(14)16-7/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,10-/m1/s1
InChIKey RKWVKFFFOYCNSI-FKTZTGRPSA-N
Instrument Name ThermoFinnigan MAT95XL
Ionization Type EI
Literature Reference DOI 10.1021/np0401415
Molecular Weight 230.260 g/mol
Optical Rotation [a]D29 = -67 (c = 0.015, MeOH)
Reported Formula C11H18O5
SMILES O[C@]1(CC(O[C@@](CCC(C[C@]1(OC)[H])=O)(C)[H])=O)[H]
SPLASH splash10-0udi-3900000000-ad2728fae01cb9df326f
Source of Spectrum G4-67-1955-3
Wiley ID 1881574