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(2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid (phenylmethyl) ester
SpectraBase Compound ID dzo5ajYq6C
InChI InChI=1S/C28H36O5S/c1-3-4-5-6-7-14-19-23-24(25(29)26(30)32-20-21-15-10-8-11-16-21)28(2,27(31)33-23)34-22-17-12-9-13-18-22/h8-13,15-18,23-25,29H,3-7,14,19-20H2,1-2H3/t23-,24+,25+,28-/m0/s1
InChIKey DTRSHESWRASAEG-FQJHJXCSSA-N
Mol Weight 484.7 g/mol
Molecular Formula C28H36O5S
Exact Mass 484.228345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LL6RbtoO9Ak
Name (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid (phenylmethyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O5S
InChI InChI=1S/C28H36O5S/c1-3-4-5-6-7-14-19-23-24(25(29)26(30)32-20-21-15-10-8-11-16-21)28(2,27(31)33-23)34-22-17-12-9-13-18-22/h8-13,15-18,23-25,29H,3-7,14,19-20H2,1-2H3/t23-,24+,25+,28-/m0/s1
InChIKey DTRSHESWRASAEG-FQJHJXCSSA-N
Molecular Weight 484.651 g/mol
SMILES O[C@]([C@@]1([C@@](C(O[C@]1(CCCCCCCC)[H])=O)(Sc1ccccc1)C)[H])(C(OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9000000000-af3380feaae90b312419
Source of Spectrum J-61-8451-15
Synonyms (2R)-2-hydroxy-2-[(2S,3S,4S)-5-keto-4-methyl-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid benzyl ester (phenylmethyl) (2R)-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]-2-oxidanyl-ethanoate benzyl (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate benzyl (2R)-2-hydroxy-2-[(2S,3S,4S)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate
Wiley ID 1396057