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Methyl 3-O-benzoyl-2-O-benzyl-3-C-methyl-.alpha.-D-mannopyranoside
SpectraBase Compound ID KtYqJGQMoL3
InChI InChI=1S/C22H26O7/c1-22(29-20(25)16-11-7-4-8-12-16)18(24)17(13-23)28-21(26-2)19(22)27-14-15-9-5-3-6-10-15/h3-12,17-19,21,23-24H,13-14H2,1-2H3/t17-,18-,19-,21+,22+/m1/s1
InChIKey JMBFAOHUBRWFJJ-MWGJNXKLSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIweW8xKeDk
Name Methyl 3-O-benzoyl-2-O-benzyl-3-C-methyl-.alpha.-D-mannopyranoside
CAS Registry Number 141020-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-22(29-20(25)16-11-7-4-8-12-16)18(24)17(13-23)28-21(26-2)19(22)27-14-15-9-5-3-6-10-15/h3-12,17-19,21,23-24H,13-14H2,1-2H3/t17-,18-,19-,21+,22+/m1/s1
InChIKey JMBFAOHUBRWFJJ-MWGJNXKLSA-N
Molecular Weight 402.443 g/mol
SMILES O[C@@]1([C@@](CO)(O[C@@]([C@]([C@]1(OC(c1ccccc1)=O)C)(OCc1ccccc1)[H])(OC)[H])[H])[H]
SPLASH splash10-052f-9700000000-df6b0e589c1966818403
Source of Spectrum U-1992-698-16
Wiley ID 764322