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4',4"'-Dimethyl-cupressuflavanone
SpectraBase Compound ID GVOuvaOXEh8
InChI InChI=1S/C32H26O10/c1-39-17-7-3-15(4-8-17)25-13-23(37)27-19(33)11-21(35)29(31(27)41-25)30-22(36)12-20(34)28-24(38)14-26(42-32(28)30)16-5-9-18(40-2)10-6-16/h3-12,25-26,33-36H,13-14H2,1-2H3
InChIKey XIKAZLWQXAZJRL-UHFFFAOYSA-N
Mol Weight 570.6 g/mol
Molecular Formula C32H26O10
Exact Mass 570.152597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuQJZW417I9
Name 4',4'''-dimethyl-cupressuflavanone
Comments Computed using HOSE algorithm
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Exact Mass 570.152597027 u
Formula C32H26O10
InChI InChI=1S/C32H26O10/c1-39-17-7-3-15(4-8-17)25-13-23(37)27-19(33)11-21(35)29(31(27)41-25)30-22(36)12-20(34)28-24(38)14-26(42-32(28)30)16-5-9-18(40-2)10-6-16/h3-12,25-26,33-36H,13-14H2,1-2H3
InChIKey XIKAZLWQXAZJRL-UHFFFAOYSA-N
Molecular Weight 570.550 g/mol
SMILES C1(C=2C3=C(C(=O)CC(O3)C=3C=CC(=CC3)OC)C(=CC2O)O)=C2C(C(=O)CC(O2)C2=CC=C(C=C2)OC)=C(C=C1O)O