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

View entire compound with spectra: 1 NMR

6''-Dehydroxy-2'',3',3'',4',4'',5,7-hepta-o-methylisoorientin
SpectraBase Compound ID 5oQcyKXOgsi
InChI InChI=1S/C28H34O11/c1-14-23(33-5)26(35-7)27(36-8)28(37-14)39-24-21(32-4)13-20-22(25(24)34-6)16(29)12-18(38-20)15-9-10-17(30-2)19(11-15)31-3/h9-14,23,26-28H,1-8H3
InChIKey DVTKMTRAYIMABB-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 ATRwTXvgq7A
Name 6''-Dehydroxy-2'',3',3'',4',4'',5,7-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/c1-14-23(33-5)26(35-7)27(36-8)28(37-14)39-24-21(32-4)13-20-22(25(24)34-6)16(29)12-18(38-20)15-9-10-17(30-2)19(11-15)31-3/h9-14,23,26-28H,1-8H3
InChIKey DVTKMTRAYIMABB-UHFFFAOYSA-N
Molecular Weight 546.569 g/mol
SMILES C1(C2=C(C(OC3C(C(C(C(O3)C)OC)OC)OC)=C(C=C2OC(=C1)C1=CC(OC)=C(C=C1)OC)OC)OC)=O