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(6S)-5,5-Difluoro-6-[(2R,3S,4R,5S,E)-2-hydroxy-4-methoxy-3,5,8-trimethylnon-7-enyl]-5,6-dihydro-2H-pyran-2-one
SpectraBase Compound ID FjAzKkqSp5e
InChI InChI=1S/C18H28F2O4/c1-11(2)6-7-12(3)17(23-5)13(4)14(21)10-15-18(19,20)9-8-16(22)24-15/h6,8-9,12-15,17,21H,7,10H2,1-5H3/t12-,13-,14+,15-,17+/m0/s1
InChIKey YHPKEKOAKSAARX-KSXIZUIISA-N
Mol Weight 346.41 g/mol
Molecular Formula C18H28F2O4
Exact Mass 346.195566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UVdZCQTqMy
Name (6S)-5,5-Difluoro-6-[(2R,3S,4R,5S,E)-2-hydroxy-4-methoxy-3,5,8-trimethylnon-7-enyl]-5,6-dihydro-2H-pyran-2-one
Alternate Name(s) (2S)-3,3-difluoro-2-[(2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5,8-trimethylnon-7-enyl]-2H-pyran-6-one (2S)-3,3-bis(fluoranyl)-2-[(2R,3S,4R,5S)-4-methoxy-3,5,8-trimethyl-2-oxidanyl-non-7-enyl]-2H-pyran-6-one
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Formula C18H28F2O4
InChI InChI=1S/C18H28F2O4/c1-11(2)6-7-12(3)17(23-5)13(4)14(21)10-15-18(19,20)9-8-16(22)24-15/h6,8-9,12-15,17,21H,7,10H2,1-5H3/t12-,13-,14+,15-,17+/m0/s1
InChIKey YHPKEKOAKSAARX-KSXIZUIISA-N
Molecular Weight 346.415 g/mol
SMILES O[C@@]([C@@]([C@@]([C@](CC=C(C)C)(C)[H])(OC)[H])(C)[H])(C[C@]1(C(C=CC(=O)O1)(F)F)[H])[H]
SPLASH splash10-014i-9001000000-7dd61b63c920c835a761
Source of Spectrum F4-42-274-2a
Wiley ID 1673559