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1-O-Benzoyl-2-C-benzoyloxymethyl-2,3-O-isopropylidene-D-mannofuranose
SpectraBase Compound ID 1To3XNzbapJ
InChI InChI=1S/C24H26O9/c1-23(2)32-19-18(17(26)13-25)30-22(31-21(28)16-11-7-4-8-12-16)24(19,33-23)14-29-20(27)15-9-5-3-6-10-15/h3-12,17-19,22,25-26H,13-14H2,1-2H3/t17-,18-,19+,22?,24+/m1/s1
InChIKey QJYYRHWDFNRIFY-VZFFJDMJSA-N
Mol Weight 458.46 g/mol
Molecular Formula C24H26O9
Exact Mass 458.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AopvUdv9MPd
Name 1-O-Benzoyl-2-C-benzoyloxymethyl-2,3-O-isopropylidene-D-mannofuranose
Alternate Name(s) ((3aS,6R,6aS)-4-(benzoyloxy)-6-((R)-1,2-dihydroxyethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-3a-yl)methyl benzoate [(3aS,6R,6aS)-4-benzoyloxy-6-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl benzoate [(3aS,6R,6aS)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-4-(phenylcarbonyloxy)-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl benzoate
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Formula C24H26O9
InChI InChI=1S/C24H26O9/c1-23(2)32-19-18(17(26)13-25)30-22(31-21(28)16-11-7-4-8-12-16)24(19,33-23)14-29-20(27)15-9-5-3-6-10-15/h3-12,17-19,22,25-26H,13-14H2,1-2H3/t17-,18-,19+,22?,24+/m1/s1
InChIKey QJYYRHWDFNRIFY-VZFFJDMJSA-N
Literature Reference DOI 10.1021/jo401041s
Molecular Weight 458.463 g/mol
SMILES OC[C@]([C@]1(OC([C@@]2(COC(c3ccccc3)=O)OC(C)(O[C@@]12[H])C)OC(c1ccccc1)=O)[H])(O)[H]
SPLASH splash10-0a4i-0900000000-af57c2419684e76b5605
Source of Spectrum J-78-7536-11
Wiley ID 1745641