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(2S,3R,4R,5R)-3,4,6-tribenzoxyhexane-1,2,5-triol

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(2S,3R,4R,5R)-3,4,6-tribenzoxyhexane-1,2,5-triol
SpectraBase Compound ID 3sqiOgdSKX1
InChI InChI=1S/C27H32O6/c28-16-24(29)26(32-18-22-12-6-2-7-13-22)27(33-19-23-14-8-3-9-15-23)25(30)20-31-17-21-10-4-1-5-11-21/h1-15,24-30H,16-20H2/t24-,25+,26+,27+/m0/s1
InChIKey FQEGCVXQDYKNAJ-FICKONGGSA-N
Mol Weight 452.5 g/mol
Molecular Formula C27H32O6
Exact Mass 452.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dj6sKeG0mnI
Name (2S,3R,4R,5R)-3,4,6-tribenzoxyhexane-1,2,5-triol
Alternate Name(s) (2S,3R,4R,5R)-3,4,6-tribenzyloxyhexane-1,2,5-triol (2S,3R,4R,5R)-3,4,6-tris(phenylmethoxy)hexane-1,2,5-triol
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Formula C27H32O6
InChI InChI=1S/C27H32O6/c28-16-24(29)26(32-18-22-12-6-2-7-13-22)27(33-19-23-14-8-3-9-15-23)25(30)20-31-17-21-10-4-1-5-11-21/h1-15,24-30H,16-20H2/t24-,25+,26+,27+/m0/s1
InChIKey FQEGCVXQDYKNAJ-FICKONGGSA-N
Molecular Weight 452.547 g/mol
SMILES O[C@@]([C@]([C@@]([C@](CO)(O)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H]
SPLASH splash10-0006-9100000000-dab9a250ab7dfde75f3e
Source of Spectrum J-63-3077-17
Wiley ID 1388315