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(2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
SpectraBase Compound ID 7Zcq9hLp1Ed
InChI InChI=1S/C22H32O5S/c1-4-5-6-7-8-12-15-17-18(19(23)20(24)26-3)22(2,21(25)27-17)28-16-13-10-9-11-14-16/h9-11,13-14,17-19,23H,4-8,12,15H2,1-3H3/t17-,18+,19+,22-/m0/s1
InChIKey FABAZHWYFODRAU-JYLXEMOASA-N
Mol Weight 408.6 g/mol
Molecular Formula C22H32O5S
Exact Mass 408.197045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rURdmPAgx7
Name (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5S
InChI InChI=1S/C22H32O5S/c1-4-5-6-7-8-12-15-17-18(19(23)20(24)26-3)22(2,21(25)27-17)28-16-13-10-9-11-14-16/h9-11,13-14,17-19,23H,4-8,12,15H2,1-3H3/t17-,18+,19+,22-/m0/s1
InChIKey FABAZHWYFODRAU-JYLXEMOASA-N
Molecular Weight 408.553 g/mol
SMILES O[C@]([C@@]1([C@@](C(O[C@]1(CCCCCCCC)[H])=O)(Sc1ccccc1)C)[H])(C(=O)OC)[H]
SPLASH splash10-0pb9-0960000000-9e83135c30cc8383afe7
Source of Spectrum J-61-8450-6
Synonyms (2R)-2-hydroxy-2-[(2S,3S,4S)-5-keto-4-methyl-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid methyl ester Methyl (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate Methyl (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Methyl (2R)-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]-2-oxidanyl-ethanoate
Wiley ID 1372939