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Benzoic acid (2R,3R,4R,5S)-2-methoxycarbonylmethyl-3,5-dimethyl-6-oxo-tetrahydro-pyran-4-yl ester

View entire compound with spectra: 1 MS (GC)

Benzoic acid (2R,3R,4R,5S)-2-methoxycarbonylmethyl-3,5-dimethyl-6-oxo-tetrahydro-pyran-4-yl ester
SpectraBase Compound ID A77z3tpmgbk
InChI InChI=1S/C17H20O6/c1-10-13(9-14(18)21-3)22-16(19)11(2)15(10)23-17(20)12-7-5-4-6-8-12/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11+,13-,15-/m1/s1
InChIKey FHCQCWVJMCQSDE-NDPMZMCLSA-N
Mol Weight 320.34 g/mol
Molecular Formula C17H20O6
Exact Mass 320.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSOKu4TOHU0
Name Benzoic acid (2R,3R,4R,5S)-2-methoxycarbonylmethyl-3,5-dimethyl-6-oxo-tetrahydro-pyran-4-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O6
InChI InChI=1S/C17H20O6/c1-10-13(9-14(18)21-3)22-16(19)11(2)15(10)23-17(20)12-7-5-4-6-8-12/h4-8,10-11,13,15H,9H2,1-3H3/t10-,11+,13-,15-/m1/s1
InChIKey FHCQCWVJMCQSDE-NDPMZMCLSA-N
Molecular Weight 320.341 g/mol
SMILES [C@]1([C@@](C(=O)O[C@@]([C@]1(C)[H])(CC(=O)OC)[H])(C)[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-0a4i-1900000000-3250dd00461263dc4f85
Source of Spectrum F-55-4323-11
Synonyms (3S,4S,5R,6R)-Benzoic acid 2-methoxycarbonylmethyl-3,5-dimethyl-6-oxotetrahydropyran-4-yl ester benzoic acid[(2R,3R,4R,5S)-2-(2-methoxy-2-oxoethyl)-3,5-dimethyl-6-oxo-4-oxanyl]ester benzoic acid[(3S,4R,5R,6R)-2-keto-6-(2-keto-2-methoxy-ethyl)-3,5-dimethyl-tetrahydropyran-4-yl]ester [(2R,3R,4R,5S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-6-oxidanylidene-oxan-4-yl]benzoate [(2R,3R,4R,5S)-2-(2-methoxy-2-oxo-ethyl)-3,5-dimethyl-6-oxo-tetrahydropyran-4-yl]benzoate [(2R,3R,4R,5S)-2-(2-methoxy-2-oxoethyl)-3,5-dimethyl-6-oxooxan-4-yl]benzoate benzoic acid [(2R,3R,4R,5S)-2-(2-methoxy-2-oxoethyl)-3,5-dimethyl-6-oxo-4-oxanyl] ester [(2R,3R,4R,5S)-2-(2-methoxy-2-oxoethyl)-3,5-dimethyl-6-oxooxan-4-yl] benzoate [(2R,3R,4R,5S)-2-(2-methoxy-2-oxo-ethyl)-3,5-dimethyl-6-oxo-tetrahydropyran-4-yl] benzoate [(2R,3R,4R,5S)-2-(2-methoxy-2-oxidanylidene-ethyl)-3,5-dimethyl-6-oxidanylidene-oxan-4-yl] benzoate
Wiley ID 837564