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Methyl 4-O-benzoyl-6-S-acetyl-3-O-methanesulfonyl-2-O-methyl-6-thio-.alpha.,D-altropyranoside

View entire compound with spectra: 1 MS (GC)

Methyl 4-O-benzoyl-6-S-acetyl-3-O-methanesulfonyl-2-O-methyl-6-thio-.alpha.,D-altropyranoside
SpectraBase Compound ID 5MEaatEGnPs
InChI InChI=1S/C18H24O9S2/c1-11(19)28-10-13-14(26-17(20)12-8-6-5-7-9-12)15(27-29(4,21)22)16(23-2)18(24-3)25-13/h5-9,13-16,18H,10H2,1-4H3/t13-,14-,15-,16+,18+/m1/s1
InChIKey BKLXQZOXMUFOAM-JLOCXQCDSA-N
Mol Weight 448.5 g/mol
Molecular Formula C18H24O9S2
Exact Mass 448.086175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvdzfSmfGk0
Name Methyl 4-O-benzoyl-6-S-acetyl-3-O-methanesulfonyl-2-O-methyl-6-thio-.alpha.,D-altropyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O9S2
InChI InChI=1S/C18H24O9S2/c1-11(19)28-10-13-14(26-17(20)12-8-6-5-7-9-12)15(27-29(4,21)22)16(23-2)18(24-3)25-13/h5-9,13-16,18H,10H2,1-4H3/t13-,14-,15-,16+,18+/m1/s1
InChIKey BKLXQZOXMUFOAM-JLOCXQCDSA-N
Molecular Weight 448.501 g/mol
SMILES [C@@]1([C@@]([C@@](CSC(=O)C)(O[C@@]([C@]1(OC)[H])(OC)[H])[H])(OC(=O)c1ccccc1)[H])(OS(=O)(=O)C)[H]
SPLASH splash10-0a4i-0920100000-7b192c20183c6897b368
Source of Spectrum QC-7-2571-6
Synonyms benzoic acid[(2S,3R,4R,5S,6S)-2-[(acetylthio)methyl]-5,6-dimethoxy-4-methylsulfonyloxy-3-oxanyl]ester benzoic acid[(2S,3R,4R,5S,6S)-2-[(acetylthio)methyl]-5,6-dimethoxy-4-methylsulfonyloxy-tetrahydropyran-3-yl]ester Methyl 6-S-acetyl-4-O-benzoyl-2-O-methyl-3-O-(methylsulfonyl)-6-thio-.alpha.-D-altropyranoside [(2S,3R,4R,5S,6S)-2-(acetylsulfanylmethyl)-5,6-dimethoxy-4-methylsulfonyloxy-tetrahydropyran-3-yl]benzoate [(2S,3R,4R,5S,6S)-2-(acetylsulfanylmethyl)-5,6-dimethoxy-4-methylsulfonyloxyoxan-3-yl]benzoate [(2S,3R,4R,5S,6S)-2-(ethanoylsulfanylmethyl)-5,6-dimethoxy-4-methylsulfonyloxy-oxan-3-yl]benzoate benzoic acid [(2S,3R,4R,5S,6S)-2-[(acetylthio)methyl]-5,6-dimethoxy-4-methylsulfonyloxy-3-oxanyl] ester [(2S,3R,4R,5S,6S)-2-(acetylsulfanylmethyl)-5,6-dimethoxy-4-methylsulfonyloxyoxan-3-yl] benzoate [(2S,3R,4R,5S,6S)-2-(acetylsulfanylmethyl)-5,6-dimethoxy-4-methylsulfonyloxy-tetrahydropyran-3-yl] benzoate [(2S,3R,4R,5S,6S)-2-(ethanoylsulfanylmethyl)-5,6-dimethoxy-4-methylsulfonyloxy-oxan-3-yl] benzoate
Wiley ID 869447