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3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one, heptamethyl ether

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3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one, heptamethyl ether
SpectraBase Compound ID 4JVjg8Kb4AH
InChI InChI=1S/C28H36O11/c1-30-14-20-24(33-4)26(35-6)27(36-7)28(39-20)37-17-12-18(32-3)21-19(13-17)38-23(25(34-5)22(21)29)15-8-10-16(31-2)11-9-15/h8-13,20,23-28H,14H2,1-7H3
InChIKey QQVCGFNKPXBAAS-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C28H36O11
Exact Mass 548.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LJi3wfsKeo
Name 3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one, heptamethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.225761968 u
Formula C28H36O11
InChI InChI=1S/C28H36O11/c1-30-14-20-24(33-4)26(35-6)27(36-7)28(39-20)37-17-12-18(32-3)21-19(13-17)38-23(25(34-5)22(21)29)15-8-10-16(31-2)11-9-15/h8-13,20,23-28H,14H2,1-7H3
InChIKey QQVCGFNKPXBAAS-UHFFFAOYSA-N
Molecular Weight 548.585 g/mol
SMILES C1(=CC(=C2C(C(C(OC2=C1)C1=CC=C(C=C1)OC)OC)=O)OC)OC1C(C(C(C(O1)COC)OC)OC)OC