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anti-2,6-Dimethylphenyl (2SR,3RS)-3-hydroxy-2-methyl-3-[4'-(phenylsulfanyl)-3,4,5,6-tetrahydro-(2H)-pyran-4-yl]propionate

View entire compound with spectra: 1 MS (GC)

anti-2,6-Dimethylphenyl (2SR,3RS)-3-hydroxy-2-methyl-3-[4'-(phenylsulfanyl)-3,4,5,6-tetrahydro-(2H)-pyran-4-yl]propionate
SpectraBase Compound ID 7kVn4pIjIqv
InChI InChI=1S/C23H28O4S/c1-16-8-7-9-17(2)20(16)27-22(25)18(3)21(24)23(12-14-26-15-13-23)28-19-10-5-4-6-11-19/h4-11,18,21,24H,12-15H2,1-3H3/t18-,21+/m0/s1
InChIKey ASNIQYHYQBPWMZ-GHTZIAJQSA-N
Mol Weight 400.53 g/mol
Molecular Formula C23H28O4S
Exact Mass 400.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzuosJTFZmr
Name anti-2,6-Dimethylphenyl (2SR,3RS)-3-hydroxy-2-methyl-3-[4'-(phenylsulfanyl)-3,4,5,6-tetrahydro-(2H)-pyran-4-yl]propionate
Alternate Name(s) (2S,3R)-3-hydroxy-2-methyl-3-[4-(phenylthio)-4-oxanyl]propanoic acid (2,6-dimethylphenyl) ester (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(4-phenylsulfanyloxan-4-yl)propanoate (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(4-phenylsulfanyltetrahydropyran-4-yl)propanoate (2,6-dimethylphenyl) (2S,3R)-2-methyl-3-oxidanyl-3-(4-phenylsulfanyloxan-4-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O4S
InChI InChI=1S/C23H28O4S/c1-16-8-7-9-17(2)20(16)27-22(25)18(3)21(24)23(12-14-26-15-13-23)28-19-10-5-4-6-11-19/h4-11,18,21,24H,12-15H2,1-3H3/t18-,21+/m0/s1
InChIKey ASNIQYHYQBPWMZ-GHTZIAJQSA-N
Molecular Weight 400.533 g/mol
SMILES O[C@@](C1(Sc2ccccc2)CCOCC1)([C@@](C(Oc1c(cccc1C)C)=O)(C)[H])[H]
SPLASH splash10-00dl-0900100000-5208a0c98287a565622d
Source of Spectrum KC-0-1907-20
Wiley ID 831157