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4''-Dehydroxy-2'',3',3'',4',5,6'',7-hepta-o-methylisoorientin

View entire compound with spectra: 1 NMR

4''-Dehydroxy-2'',3',3'',4',5,6'',7-hepta-o-methylisoorientin
SpectraBase Compound ID Hz9tRr6ZFs0
InChI InChI=1S/C28H34O11/c1-30-14-16-11-22(33-4)26(35-6)28(37-16)39-25-23(34-5)13-21-24(27(25)36-7)17(29)12-19(38-21)15-8-9-18(31-2)20(10-15)32-3/h8-10,12-13,16,22,26,28H,11,14H2,1-7H3
InChIKey DFGVUHNHUPQOBI-UHFFFAOYSA-N
Mol Weight 546.6 g/mol
Molecular Formula C28H34O11
Exact Mass 546.210112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2b8NqzZNFw
Name 4''-Dehydroxy-2'',3',3'',4',5,6'',7-hepta-o-methylisoorientin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.210111904 u
Formula C28H34O11
InChI InChI=1S/C28H34O11/c1-30-14-16-11-22(33-4)26(35-6)28(37-16)39-25-23(34-5)13-21-24(27(25)36-7)17(29)12-19(38-21)15-8-9-18(31-2)20(10-15)32-3/h8-10,12-13,16,22,26,28H,11,14H2,1-7H3
InChIKey DFGVUHNHUPQOBI-UHFFFAOYSA-N
Molecular Weight 546.569 g/mol
SMILES C1(C2=C(C(OC3C(C(CC(O3)COC)OC)OC)=C(C=C2OC(=C1)C1=CC(OC)=C(C=C1)OC)OC)OC)=O