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1,3-Di-O-acetyl-2,4-O-isopropylidene-1C-phenyl-D-glycero-D-gulo-hexitol
SpectraBase Compound ID Ka3l42GCKzG
InChI InChI=1S/C19H26O8/c1-11(21)24-15(13-8-6-5-7-9-13)18-17(25-12(2)22)16(14(23)10-20)26-19(3,4)27-18/h5-9,14-18,20,23H,10H2,1-4H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey FUBKUHKREQJQBO-SFFUCWETSA-N
Mol Weight 382.41 g/mol
Molecular Formula C19H26O8
Exact Mass 382.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR4ayEdguLG
Name 1,3-Di-O-acetyl-2,4-O-isopropylidene-1C-phenyl-D-glycero-D-gulo-hexitol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O8
InChI InChI=1S/C19H26O8/c1-11(21)24-15(13-8-6-5-7-9-13)18-17(25-12(2)22)16(14(23)10-20)26-19(3,4)27-18/h5-9,14-18,20,23H,10H2,1-4H3/t14-,15-,16+,17-,18+/m1/s1
InChIKey FUBKUHKREQJQBO-SFFUCWETSA-N
Molecular Weight 382.409 g/mol
SMILES O[C@](CO)([C@]1([C@]([C@@](OC(O1)(C)C)([C@](OC(=O)C)(c1ccccc1)[H])[H])(OC(=O)C)[H])[H])[H]
SPLASH splash10-004i-0009000000-370ef08b2fd44590aef0
Source of Spectrum F-48-8663-9
Synonyms 4,6-di-O-acetyl-3,5-O-(1-methylethylidene)-6-C-phenyl-L-glucitol
Wiley ID 1360465