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Methyl (3S,4R,5R)-3-[3-(Benzenesulfonyl)-4-[(methoxycarbonyl)methyl]-2-oxo-5-propyltetrahydrofuran-3-yl]propionate
SpectraBase Compound ID KVofr7vBCHH
InChI InChI=1S/C20H26O8S/c1-4-8-16-15(13-18(22)27-3)20(19(23)28-16,12-11-17(21)26-2)29(24,25)14-9-6-5-7-10-14/h5-7,9-10,15-16H,4,8,11-13H2,1-3H3/t15-,16-,20+/m1/s1
InChIKey YFPGISMUMAFAEY-QINHECLXSA-N
Mol Weight 426.48 g/mol
Molecular Formula C20H26O8S
Exact Mass 426.134839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4lobVkvYc3
Name Methyl (3S,4R,5R)-3-[3-(Benzenesulfonyl)-4-[(methoxycarbonyl)methyl]-2-oxo-5-propyltetrahydrofuran-3-yl]propionate
Alternate Name(s) Methyl 3-[(3S,4R,5R)-4-(2-methoxy-2-oxoethyl)-2-oxo-3-(phenylsulfonyl)-5-propyltetrahydro-3-furanyl]propanoate
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Formula C20H26O8S
InChI InChI=1S/C20H26O8S/c1-4-8-16-15(13-18(22)27-3)20(19(23)28-16,12-11-17(21)26-2)29(24,25)14-9-6-5-7-10-14/h5-7,9-10,15-16H,4,8,11-13H2,1-3H3/t15-,16-,20+/m1/s1
InChIKey YFPGISMUMAFAEY-QINHECLXSA-N
Molecular Weight 426.480 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)(C(O[C@@]([C@]1(CC(=O)OC)[H])(CCC)[H])=O)CCC(=O)OC
SPLASH splash10-004i-9050000000-dbc0e385ba86383c1aa5
Source of Spectrum J-59-8086-12
Wiley ID 1379834