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[(2R,3R,4S,5R)-3,4,5-triacetoxy-6-(1,3-benzothiazol-2-ylsulfanyl)tetrahydropyran-2-yl]methyl acetate
SpectraBase Compound ID JjBAQEVtTEg
InChI InChI=1S/C21H23NO9S2/c1-10(23)27-9-15-17(28-11(2)24)18(29-12(3)25)19(30-13(4)26)20(31-15)33-21-22-14-7-5-6-8-16(14)32-21/h5-8,15,17-20H,9H2,1-4H3/t15-,17-,18+,19-,20?/m1/s1
InChIKey RBALNWWQAAOZFJ-FIBJEGPVSA-N
Mol Weight 497.53 g/mol
Molecular Formula C21H23NO9S2
Exact Mass 497.081424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3itV040vu5F
Name [(2R,3R,4S,5R)-3,4,5-triacetoxy-6-(1,3-benzothiazol-2-ylsulfanyl)tetrahydropyran-2-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO9S2
InChI InChI=1S/C21H23NO9S2/c1-10(23)27-9-15-17(28-11(2)24)18(29-12(3)25)19(30-13(4)26)20(31-15)33-21-22-14-7-5-6-8-16(14)32-21/h5-8,15,17-20H,9H2,1-4H3/t15-,17-,18+,19-,20?/m1/s1
InChIKey RBALNWWQAAOZFJ-FIBJEGPVSA-N
Molecular Weight 497.533 g/mol
SMILES c1(SC2[C@@]([C@@](OC(=O)C)([C@@]([C@](O2)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])nc2ccccc2s1
SPLASH splash10-066u-4900000000-45176979f053e3f7ee35
Synonyms [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-(1,3-benzothiazol-2-ylsulfanyl)oxan-2-yl]methyl acetate [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-(1,3-benzothiazol-2-ylsulfanyl)oxan-2-yl]methyl ethanoate Acetic acid [(2R,3R,4S,5R)-3,4,5-triacetyloxy-6-(1,3-benzothiazol-2-ylthio)-2-oxanyl]methyl ester
Wiley ID 1442903