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2,4,6-Tri-O-Acetyl-3,5-O-isopropylidene-1,1,6-tri-C-phenyl-D-glycero-D-gulo-hexitol
SpectraBase Compound ID mS59xOzR5A
InChI InChI=1S/C33H36O9/c1-21(34)38-27(24-15-9-6-10-16-24)29-28(39-22(2)35)30(42-32(4,5)41-29)31(40-23(3)36)33(37,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27-31,37H,1-5H3/t27-,28+,29-,30-,31-/m1/s1
InChIKey SXQMOKIOPXXZNS-OIERXHDDSA-N
Mol Weight 576.6 g/mol
Molecular Formula C33H36O9
Exact Mass 576.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMPjU6YBL6G
Name 2,4,6-Tri-O-Acetyl-3,5-O-isopropylidene-1,1,6-tri-C-phenyl-D-glycero-D-gulo-hexitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36O9
InChI InChI=1S/C33H36O9/c1-21(34)38-27(24-15-9-6-10-16-24)29-28(39-22(2)35)30(42-32(4,5)41-29)31(40-23(3)36)33(37,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27-31,37H,1-5H3/t27-,28+,29-,30-,31-/m1/s1
InChIKey SXQMOKIOPXXZNS-OIERXHDDSA-N
Molecular Weight 576.642 g/mol
SMILES OC([C@@]([C@]1([C@]([C@@]([C@](OC(=O)C)(c2ccccc2)[H])(OC(O1)(C)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])(c1ccccc1)c1ccccc1
SPLASH splash10-001i-1900000000-c12800bf7eae9cdf4661
Source of Spectrum J-60-3129-17
Synonyms (1R)-1,3,5-tri-O-acetyl-2,4-O-(1-methylethylidene)-1,6,6-tri-C-phenyl-L-glucitol
Wiley ID 1408229