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(-)-afzelechin 7-glucoside, heptakis-methyl ether

View entire compound with spectra: 1 NMR

(-)-afzelechin 7-glucoside, heptakis-methyl ether
SpectraBase Compound ID LP0nNOByEtz
InChI InChI=1S/C28H38O10/c1-29-15-23-25(33-5)26(34-6)27(35-7)28(38-23)36-18-12-20(31-3)19-14-22(32-4)24(37-21(19)13-18)16-8-10-17(30-2)11-9-16/h8-13,22-28H,14-15H2,1-7H3/t22-,23-,24-,25-,26+,27-,28-/m1/s1
InChIKey QVILXCCQULOSLX-XWSJMMAPSA-N
Mol Weight 534.6 g/mol
Molecular Formula C28H38O10
Exact Mass 534.246497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6y57Y2FKM3j
Name (-)-afzelechin 7-glucoside, heptakis-methyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.246497414 u
Formula C28H38O10
InChI InChI=1S/C28H38O10/c1-29-15-23-25(33-5)26(34-6)27(35-7)28(38-23)36-18-12-20(31-3)19-14-22(32-4)24(37-21(19)13-18)16-8-10-17(30-2)11-9-16/h8-13,22-28H,14-15H2,1-7H3/t22-,23-,24-,25-,26+,27-,28-/m1/s1
InChIKey QVILXCCQULOSLX-XWSJMMAPSA-N
Molecular Weight 534.602 g/mol
SMILES [C@@]1(OC2=CC=3O[C@@]([C@@](CC3C(=C2)OC)(OC)[H])(C2=CC=C(C=C2)OC)[H])([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]