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Methyl-3-O-benzyl-4,6-O-benzylidene-a-d-glucopyranoside
SpectraBase Compound ID 9qjJPM2HCYa
InChI InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16-,17-,18+,19+,20?,21-/m0/s1
InChIKey QRMYFVCKXAQEDN-DPRWNSONSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ETHlCoaLlAi
Name Methyl-3-o-benzyl-4,6-o-benzylidene-A-D-glucopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 372.157288487 u
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16-,17-,18+,19+,20?,21-/m0/s1
InChIKey QRMYFVCKXAQEDN-DPRWNSONSA-N
Molecular Weight 372.417 g/mol
SMILES O[C@@]1([C@](O[C@@]2([C@]([C@@]1(OCc1ccccc1)[H])(OC(OC2)c1ccccc1)[H])[H])(OC)[H])[H]