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Methyl 2-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybenzoate, heptamethyl ether

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Methyl 2-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybenzoate, heptamethyl ether
SpectraBase Compound ID FFfoCiRXon3
InChI InChI=1S/C27H42O13/c1-29-13-17-19(31-3)21(33-5)23(35-7)26(38-17)40-24-22(34-6)20(32-4)18(14-30-2)39-27(24)37-16-12-10-9-11-15(16)25(28)36-8/h9-12,17-24,26-27H,13-14H2,1-8H3
InChIKey VYJNYADEZGOOGI-UHFFFAOYSA-N
Mol Weight 574.6 g/mol
Molecular Formula C27H42O13
Exact Mass 574.262541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8DEq8vSl5Sc
Name Methyl 2-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybenzoate, heptamethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 574.262541399 u
Formula C27H42O13
InChI InChI=1S/C27H42O13/c1-29-13-17-19(31-3)21(33-5)23(35-7)26(38-17)40-24-22(34-6)20(32-4)18(14-30-2)39-27(24)37-16-12-10-9-11-15(16)25(28)36-8/h9-12,17-24,26-27H,13-14H2,1-8H3
InChIKey VYJNYADEZGOOGI-UHFFFAOYSA-N
Molecular Weight 574.620 g/mol
SMILES C1=CC=C(C(=C1)C(OC)=O)OC1OC(C(C(C1OC1OC(C(C(C1OC)OC)OC)COC)OC)OC)COC