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Methyl (2S,3S,4R)-[4-(Benzenesulfonyl)-2-(4-methylpentyl)-5-oxotetrahydrofuran-3-yl]acetate
SpectraBase Compound ID BJsiJ3Qx1sj
InChI InChI=1S/C20H28O6S/c1-14(2)9-8-12-20(3)16(13-17(21)25-4)18(19(22)26-20)27(23,24)15-10-6-5-7-11-15/h5-7,10-11,14,16,18H,8-9,12-13H2,1-4H3/t16-,18-,20+/m1/s1
InChIKey ZUQJSVITOLXQEW-POAQFYNOSA-N
Mol Weight 396.5 g/mol
Molecular Formula C20H28O6S
Exact Mass 396.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19TkJHUCh3I
Name Methyl (2S,3S,4R)-[4-(Benzenesulfonyl)-2-(4-methylpentyl)-5-oxotetrahydrofuran-3-yl]acetate
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Formula C20H28O6S
InChI InChI=1S/C20H28O6S/c1-14(2)9-8-12-20(3)16(13-17(21)25-4)18(19(22)26-20)27(23,24)15-10-6-5-7-11-15/h5-7,10-11,14,16,18H,8-9,12-13H2,1-4H3/t16-,18-,20+/m1/s1
InChIKey ZUQJSVITOLXQEW-POAQFYNOSA-N
Molecular Weight 396.498 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)(C(O[C@]([C@@]1(CC(=O)OC)[H])(CCCC(C)C)C)=O)[H]
SPLASH splash10-004i-7930000000-3e7c67ee738c81fe8e9c
Source of Spectrum J-59-8091-45
Synonyms Methyl (2S,3S,4R)-[4-(Benzenesulfonyl)-2-(4-methylpentyl)-2-methyl-5-oxotetrahydrofuran-3-yl]acetate 2-[(2S,3S,4R)-4-(benzenesulfonyl)-2-methyl-2-(4-methylpentyl)-5-oxo-3-oxolanyl]acetic acid methyl ester Methyl 2-[(2S,3S,4R)-4-(benzenesulfonyl)-2-methyl-2-(4-methylpentyl)-5-oxooxolan-3-yl]acetate Methyl 2-[(2S,3S,4R)-4-(benzenesulfonyl)-2-isohexyl-2-methyl-5-oxo-tetrahydrofuran-3-yl]acetate Methyl 2-[(2S,3S,4R)-2-methyl-2-(4-methylpentyl)-5-oxidanylidene-4-(phenylsulfonyl)oxolan-3-yl]ethanoate
Wiley ID 1367378