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Ethyl-3,4,6-tri(O-benzyl)-2-deoxy-2-fluoro-.beta.-D-thioglucopyranoside
SpectraBase Compound ID H1VkNfef3RM
InChI InChI=1S/C29H33FO4S/c1-2-35-29-26(30)28(33-20-24-16-10-5-11-17-24)27(32-19-23-14-8-4-9-15-23)25(34-29)21-31-18-22-12-6-3-7-13-22/h3-17,25-29H,2,18-21H2,1H3/t25-,26-,27-,28-,29+/m1/s1
InChIKey ZELHEJBTLHIACR-JPHCZMGXSA-N
Mol Weight 496.6 g/mol
Molecular Formula C29H33FO4S
Exact Mass 496.208359 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96ywd3ylkAC
Name Ethyl-3,4,6-tri(O-benzyl)-2-deoxy-2-fluoro-.beta.-D-thioglucopyranoside
Comments Less than 3 mono-isotopic peaks
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Formula C29H33FO4S
InChI InChI=1S/C29H33FO4S/c1-2-35-29-26(30)28(33-20-24-16-10-5-11-17-24)27(32-19-23-14-8-4-9-15-23)25(34-29)21-31-18-22-12-6-3-7-13-22/h3-17,25-29H,2,18-21H2,1H3/t25-,26-,27-,28-,29+/m1/s1
InChIKey ZELHEJBTLHIACR-JPHCZMGXSA-N
Molecular Weight 496.637 g/mol
SMILES [C@@]1([C@]([C@](SCC)(O[C@@]([C@]1(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H])(F)[H])(OCc1ccccc1)[H]
SPLASH splash10-0a4i-0000900000-a45f569ee2b20695b1e8
Source of Spectrum C-119-5796-16
Synonyms (2S,3R,4S,5R,6R)-2-(ethylthio)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (2R,3R,4S,5R,6S)-3,4-dibenzyloxy-2-(benzyloxymethyl)-6-ethylsulfanyl-5-fluoro-tetrahydropyran (2S,3R,4S,5R,6R)-2-ethylsulfanyl-3-fluoranyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
Wiley ID 1699252