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2-[(2R,3R,4S)-3-methyl-4-phenylmethoxy-6-(phenylthio)-2-oxanyl]acetic acid methyl ester
SpectraBase Compound ID 9GvFMmeb6qP
InChI InChI=1S/C22H26O4S/c1-16-19(25-15-17-9-5-3-6-10-17)14-22(26-20(16)13-21(23)24-2)27-18-11-7-4-8-12-18/h3-12,16,19-20,22H,13-15H2,1-2H3/t16-,19+,20-,22?/m1/s1
InChIKey PBZGINZATVTYMG-XSGOHMFISA-N
Mol Weight 386.51 g/mol
Molecular Formula C22H26O4S
Exact Mass 386.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ki0GCyIqBOz
Name 2-[(2R,3R,4S)-3-methyl-4-phenylmethoxy-6-(phenylthio)-2-oxanyl]acetic acid methyl ester
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Formula C22H26O4S
InChI InChI=1S/C22H26O4S/c1-16-19(25-15-17-9-5-3-6-10-17)14-22(26-20(16)13-21(23)24-2)27-18-11-7-4-8-12-18/h3-12,16,19-20,22H,13-15H2,1-2H3/t16-,19+,20-,22?/m1/s1
InChIKey PBZGINZATVTYMG-XSGOHMFISA-N
Molecular Weight 386.506 g/mol
SMILES [C@]1(OC(Sc2ccccc2)C[C@@]([C@]1(C)[H])(OCc1ccccc1)[H])(CC(=O)OC)[H]
SPLASH splash10-00kg-9800000000-5aa4e073b9653af50686
Source of Spectrum QC-10-1543-7
Synonyms 2-[(2R,3R,4S)-4-benzoxy-3-methyl-6-(phenylthio)tetrahydropyran-2-yl]acetic acid methyl ester Methyl 2-[(2R,3R,4S)-3-methyl-4-phenylmethoxy-6-phenylsulfanyl-oxan-2-yl]ethanoate Methyl 2-[(2R,3R,4S)-3-methyl-4-phenylmethoxy-6-phenylsulfanyloxan-2-yl]acetate Methyl 2-[(2R,3R,4S)-4-benzyloxy-3-methyl-6-phenylsulfanyl-tetrahydropyran-2-yl]acetate
Wiley ID 871253