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2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
SpectraBase Compound ID 3i5XONdszHv
InChI InChI=1S/C20H28O4S/c1-4-5-6-10-13-16-20(2,14-17(21)23-3)18(19(22)24-16)25-15-11-8-7-9-12-15/h7-9,11-12,16,18H,4-6,10,13-14H2,1-3H3/t16-,18-,20-/m1/s1
InChIKey GRZWOFZCQWGGQX-YVWKXTFCSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4xwFq4czF6
Name 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
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Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-4-5-6-10-13-16-20(2,14-17(21)23-3)18(19(22)24-16)25-15-11-8-7-9-12-15/h7-9,11-12,16,18H,4-6,10,13-14H2,1-3H3/t16-,18-,20-/m1/s1
InChIKey GRZWOFZCQWGGQX-YVWKXTFCSA-N
Molecular Weight 364.500 g/mol
SMILES [C@]1([C@@](C(=O)O[C@@]1(CCCCCC)[H])(Sc1ccccc1)[H])(CC(=O)OC)C
SPLASH splash10-0a4j-7975000000-4b2a623f6b0617896192
Source of Spectrum J-59-4470-28
Synonyms 2-[(2R,3R,4S)-2-hexyl-5-keto-3-methyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid methyl ester Methyl 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Methyl 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate Methyl 2-[(2R,3R,4S)-2-hexyl-3-methyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate
Wiley ID 1350772