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1-O-Benzoyl-2-C-benzoyloxymethyl-2,3:5,6-di-O-isopropylidene-D-mannofuranose
SpectraBase Compound ID BzPzbdKvEHp
InChI InChI=1S/C27H30O9/c1-25(2)31-15-19(34-25)20-21-27(36-26(3,4)35-21,16-30-22(28)17-11-7-5-8-12-17)24(32-20)33-23(29)18-13-9-6-10-14-18/h5-14,19-21,24H,15-16H2,1-4H3/t19-,20-,21+,24?,27+/m1/s1
InChIKey RCMIQUPYEHZFBN-VMMBXGIHSA-N
Mol Weight 498.53 g/mol
Molecular Formula C27H30O9
Exact Mass 498.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMRWSGSYVO1
Name 1-O-Benzoyl-2-C-benzoyloxymethyl-2,3:5,6-di-O-isopropylidene-D-mannofuranose
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O9
InChI InChI=1S/C27H30O9/c1-25(2)31-15-19(34-25)20-21-27(36-26(3,4)35-21,16-30-22(28)17-11-7-5-8-12-17)24(32-20)33-23(29)18-13-9-6-10-14-18/h5-14,19-21,24H,15-16H2,1-4H3/t19-,20-,21+,24?,27+/m1/s1
InChIKey RCMIQUPYEHZFBN-VMMBXGIHSA-N
Literature Reference DOI 10.1021/jo401041s
Molecular Weight 498.528 g/mol
SMILES C1(OC[C@@](O1)([C@]1(OC(OC(c2ccccc2)=O)[C@@]2([C@]1(OC(C)(C)O2)[H])COC(c1ccccc1)=O)[H])[H])(C)C
SPLASH splash10-0bt9-0900200000-9b2dba4897ad91f43b35
Source of Spectrum J-78-7536-10
Synonyms ((3aS,6R,6aS)-4-(benzoyloxy)-6-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-3a-yl)methyl benzoate [(3aS,6R,6aS)-4-benzoyloxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl benzoate [(3aS,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(phenylcarbonyloxy)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl benzoate
Wiley ID 1745640