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Viniferin, 5me derivative
SpectraBase Compound ID Kw3nAIxjz0d
InChI InChI=1S/C33H32O6/c1-34-25-12-7-21(8-13-25)6-9-23-16-29(38-5)20-30-31(23)32(24-17-27(36-3)19-28(18-24)37-4)33(39-30)22-10-14-26(35-2)15-11-22/h6-20,32-33H,1-5H3/b9-6+/t32-,33+/m0/s1
InChIKey IBLSUUUVURODAY-BMMKWNBJSA-N
Mol Weight 524.6 g/mol
Molecular Formula C33H32O6
Exact Mass 524.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CEuto9MkKa
Name Viniferin, 5me derivative
Comments Computed using HOSE algorithm
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Exact Mass 524.219888744 u
Formula C33H32O6
InChI InChI=1S/C33H32O6/c1-34-25-12-7-21(8-13-25)6-9-23-16-29(38-5)20-30-31(23)32(24-17-27(36-3)19-28(18-24)37-4)33(39-30)22-10-14-26(35-2)15-11-22/h6-20,32-33H,1-5H3/b9-6+/t32-,33+/m0/s1
InChIKey IBLSUUUVURODAY-BMMKWNBJSA-N
Molecular Weight 524.613 g/mol
SMILES [C@]1(OC=2C([C@@]1(C1=CC(=CC(=C1)OC)OC)[H])=C(C=C(C2)OC)\C=C\C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)[H]