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2-(3-Methoxy-4-hydroxyphenyl)-5,12-dmethoxy-7,10-bi(hydroxymethyl)-dibenzo[eg][1,4]dioxocin-3-methanol tetraacetate
SpectraBase Compound ID KuDm71RMn1d
InChI InChI=1S/C34H36O13/c1-18(35)42-15-22-10-25-26-11-23(16-43-19(2)36)13-30(41-7)34(26)47-32(24-8-9-27(45-21(4)38)28(14-24)39-5)31(17-44-20(3)37)46-33(25)29(12-22)40-6/h8-14,31-32H,15-17H2,1-7H3
InChIKey FYVYNRPFXWTLIM-UHFFFAOYSA-N
Mol Weight 652.6 g/mol
Molecular Formula C34H36O13
Exact Mass 652.215591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwpN7LuImO9
Name 2-(3-Methoxy-4-hydroxyphenyl)-5,12-dmethoxy-7,10-bi(hydroxymethyl)-dibenzo[eg][1,4]dioxocin-3-methanol tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.215591206 u
Formula C34H36O13
InChI InChI=1S/C34H36O13/c1-18(35)42-15-22-10-25-26-11-23(16-43-19(2)36)13-30(41-7)34(26)47-32(24-8-9-27(45-21(4)38)28(14-24)39-5)31(17-44-20(3)37)46-33(25)29(12-22)40-6/h8-14,31-32H,15-17H2,1-7H3
InChIKey FYVYNRPFXWTLIM-UHFFFAOYSA-N
Molecular Weight 652.649 g/mol
SMILES C1=2C3=C(OC(C(OC2C(OC)=CC(=C1)COC(=O)C)C=1C=C(OC)C(=CC1)OC(=O)C)COC(=O)C)C(OC)=CC(=C3)COC(=O)C