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Allyl-2,4-di-O-benzyl-3-O-acetyl-a-d-glucopyranoside

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Allyl-2,4-di-O-benzyl-3-O-acetyl-a-d-glucopyranoside
SpectraBase Compound ID KDverNVFrdM
InChI InChI=1S/C25H30O7/c1-3-14-28-25-24(30-17-20-12-8-5-9-13-20)23(31-18(2)27)22(21(15-26)32-25)29-16-19-10-6-4-7-11-19/h3-13,21-26H,1,14-17H2,2H3/t21-,22-,23+,24-,25+/m1/s1
InChIKey MPDJJTZFROFJCK-RXFVIIJJSA-N
Mol Weight 442.51 g/mol
Molecular Formula C25H30O7
Exact Mass 442.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8da4oCXxwo
Name Allyl-2,4-di-o-benzyl-3-o-acetyl-A-D-glucopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.199153299 u
Formula C25H30O7
InChI InChI=1S/C25H30O7/c1-3-14-28-25-24(30-17-20-12-8-5-9-13-20)23(31-18(2)27)22(21(15-26)32-25)29-16-19-10-6-4-7-11-19/h3-13,21-26H,1,14-17H2,2H3/t21-,22-,23+,24-,25+/m1/s1
InChIKey MPDJJTZFROFJCK-RXFVIIJJSA-N
Molecular Weight 442.508 g/mol
SMILES OC[C@]1(O[C@@]([C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OC(C)=O)[H])(OCc1ccccc1)[H])(OCC=C)[H])[H]