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(2SR,3RS,4SR)-2,6-dimethylphenyl 2,4-dimethyl-3-hydroxy-4-phenylsulfanylhexanoate syn, anti
SpectraBase Compound ID C6yzXSew2FK
InChI InChI=1S/C22H28O3S/c1-6-22(5,26-18-13-8-7-9-14-18)20(23)17(4)21(24)25-19-15(2)11-10-12-16(19)3/h7-14,17,20,23H,6H2,1-5H3/t17-,20-,22+/m1/s1
InChIKey CZQYBNFRDHPRSQ-ZNLUXHQJSA-N
Mol Weight 372.52 g/mol
Molecular Formula C22H28O3S
Exact Mass 372.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQGtNd3f8tk
Name (2SR,3RS,4SR)-2,6-dimethylphenyl 2,4-dimethyl-3-hydroxy-4-phenylsulfanylhexanoate syn, anti
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O3S
InChI InChI=1S/C22H28O3S/c1-6-22(5,26-18-13-8-7-9-14-18)20(23)17(4)21(24)25-19-15(2)11-10-12-16(19)3/h7-14,17,20,23H,6H2,1-5H3/t17-,20-,22+/m1/s1
InChIKey CZQYBNFRDHPRSQ-ZNLUXHQJSA-N
Molecular Weight 372.523 g/mol
SMILES O[C@@]([C@@](Sc1ccccc1)(CC)C)([C@](C(Oc1c(cccc1C)C)=O)(C)[H])[H]
SPLASH splash10-0229-0910000000-fd12fc093e0dcd4debcc
Source of Spectrum KC-0-540-32(syn,anti)
Synonyms syn, anti-(2SR,3RS,4SR)-2,6-Dimethylpheny 2,4-dimethyl-3-hydroxy-4-(phenylsulfanyl)hexanoate syn,anti-(2R,3S,4R)-2,6-Dimethylphenyl-2,4-dimethyl-3-hydroxy-4-phenylsulfanyl-hexanoate (2,6-dimethylphenyl) (2S,3R,4S)-3-hydroxy-2,4-dimethyl-4-phenylsulfanylhexanoate (2,6-dimethylphenyl) (2S,3R,4S)-2,4-dimethyl-3-oxidanyl-4-phenylsulfanyl-hexanoate
Wiley ID 830030