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Xylopyranoside, methyl 4-thio-, tribenzoate, .alpha.-D-
SpectraBase Compound ID ARnb4NKR1Tp
InChI InChI=1S/C27H24O7S/c1-31-27-23(34-25(29)19-13-7-3-8-14-19)22(33-24(28)18-11-5-2-6-12-18)21(17-32-27)35-26(30)20-15-9-4-10-16-20/h2-16,21-23,27H,17H2,1H3
InChIKey NYATZIDVXFPXKZ-UHFFFAOYSA-N
Mol Weight 492.54 g/mol
Molecular Formula C27H24O7S
Exact Mass 492.124274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcSkfH1Z1Hn
Name Xylopyranoside, methyl 4-thio-, tribenzoate, .alpha.-D-
CAS Registry Number 15076-96-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24O7S
InChI InChI=1S/C27H24O7S/c1-31-27-23(34-25(29)19-13-7-3-8-14-19)22(33-24(28)18-11-5-2-6-12-18)21(17-32-27)35-26(30)20-15-9-4-10-16-20/h2-16,21-23,27H,17H2,1H3
InChIKey NYATZIDVXFPXKZ-UHFFFAOYSA-N
Molecular Weight 492.542 g/mol
SMILES C(=O)(OC1C(C(OC)OCC1SC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
SPLASH splash10-0a6u-9571000000-576cbe4f5b332e0ed7d9
Source of Spectrum AU-16-356-2
Synonyms (3-benzoyloxy-5-benzoylsulfanyl-2-methoxy-tetrahydropyran-4-yl) benzoate (3-benzoyloxy-5-benzoylsulfanyl-2-methoxyoxan-4-yl) benzoate Methyl 2,3-di-O-benzoyl-4-S-benzoyl-4-thiopentopyranoside benzoic acid [3-benzoyloxy-5-(benzoylthio)-2-methoxy-4-oxanyl] ester [2-methoxy-3-(phenylcarbonyloxy)-5-(phenylcarbonylsulfanyl)oxan-4-yl] benzoate
Wiley ID 62712