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[(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID E3RkrO6KgBN
InChI InChI=1S/C28H32O8S/c1-20-13-15-23(16-14-20)37(30,31)35-19-24-25(29)26(33-17-21-9-5-3-6-10-21)27(28(32-2)36-24)34-18-22-11-7-4-8-12-22/h3-16,24-29H,17-19H2,1-2H3/t24-,25-,26+,27-,28+/m1/s1
InChIKey QRWAADJPAQDMCL-DFLSAPQXSA-N
Mol Weight 528.6 g/mol
Molecular Formula C28H32O8S
Exact Mass 528.181789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNtXidAI2Bk
Name [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O8S
InChI InChI=1S/C28H32O8S/c1-20-13-15-23(16-14-20)37(30,31)35-19-24-25(29)26(33-17-21-9-5-3-6-10-21)27(28(32-2)36-24)34-18-22-11-7-4-8-12-22/h3-16,24-29H,17-19H2,1-2H3/t24-,25-,26+,27-,28+/m1/s1
InChIKey QRWAADJPAQDMCL-DFLSAPQXSA-N
Molecular Weight 528.616 g/mol
SMILES O[C@]1([C@@]([C@@](OCc2ccccc2)([C@](O[C@@]1(COS(c1ccc(cc1)C)(=O)=O)[H])(OC)[H])[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000000000-bd5acc80d519896c8581
Source of Spectrum F-55-2585-3
Synonyms [(2R,3R,4S,5R,6S)-4,5-dibenzyloxy-3-hydroxy-6-methoxy-tetrahydropyran-2-yl]methyl 4-methylbenzenesulfonate [(2R,3R,4S,5R,6S)-6-methoxy-3-oxidanyl-4,5-bis(phenylmethoxy)oxan-2-yl]methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2R,3R,4S,5R,6S)-3-hydroxy-6-methoxy-4,5-bis(phenylmethoxy)-2-oxanyl]methyl ester
Wiley ID 836906