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2-[(2S,3S,4R)-4-(benzenesulfonyl)-2,4-dimethyl-2-(4-methylpentyl)-5-oxo-3-oxolanyl]acetic acid methyl ester
SpectraBase Compound ID H3HYbrKoJlk
InChI InChI=1S/C21H30O6S/c1-15(2)10-9-13-20(3)17(14-18(22)26-5)21(4,19(23)27-20)28(24,25)16-11-7-6-8-12-16/h6-8,11-12,15,17H,9-10,13-14H2,1-5H3/t17-,20-,21+/m0/s1
InChIKey NNNDOVPVQFRPSW-DZFGPLHGSA-N
Mol Weight 410.53 g/mol
Molecular Formula C21H30O6S
Exact Mass 410.17631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGJB0C10Bg8
Name 2-[(2S,3S,4R)-4-(benzenesulfonyl)-2,4-dimethyl-2-(4-methylpentyl)-5-oxo-3-oxolanyl]acetic acid methyl ester
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Formula C21H30O6S
InChI InChI=1S/C21H30O6S/c1-15(2)10-9-13-20(3)17(14-18(22)26-5)21(4,19(23)27-20)28(24,25)16-11-7-6-8-12-16/h6-8,11-12,15,17H,9-10,13-14H2,1-5H3/t17-,20-,21+/m0/s1
InChIKey NNNDOVPVQFRPSW-DZFGPLHGSA-N
Molecular Weight 410.525 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)(C(O[C@]([C@@]1(CC(=O)OC)[H])(CCCC(C)C)C)=O)C
SPLASH splash10-017l-3942000000-84fc0a60e354b43332c5
Source of Spectrum J-59-8091-48
Synonyms 2-[(2S,3S,4R)-4-besyl-2-isohexyl-5-keto-2,4-dimethyl-tetrahydrofuran-3-yl]acetic acid methyl ester Methyl 2-[(2S,3S,4R)-2,4-dimethyl-2-(4-methylpentyl)-5-oxidanylidene-4-(phenylsulfonyl)oxolan-3-yl]ethanoate Methyl 2-[(2S,3S,4R)-4-(benzenesulfonyl)-2,4-dimethyl-2-(4-methylpentyl)-5-oxooxolan-3-yl]acetate Methyl 2-[(2S,3S,4R)-4-(benzenesulfonyl)-2-isohexyl-2,4-dimethyl-5-oxo-tetrahydrofuran-3-yl]acetate
Wiley ID 1373579