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Isosakuranetin, diacetate
SpectraBase Compound ID AOtOBERQ3sT
InChI InChI=1S/C20H18O7/c1-11(21)25-15-8-18(26-12(2)22)20-16(23)10-17(27-19(20)9-15)13-4-6-14(24-3)7-5-13/h4-9,17H,10H2,1-3H3/t17-/m0/s1
InChIKey GBPOBPQHOJZONU-KRWDZBQOSA-N
Mol Weight 370.36 g/mol
Molecular Formula C20H18O7
Exact Mass 370.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cov8nbuMxIl
Name Isosakuranetin, diacetate
Comments Computed using HOSE algorithm
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Exact Mass 370.105252913 u
Formula C20H18O7
InChI InChI=1S/C20H18O7/c1-11(21)25-15-8-18(26-12(2)22)20-16(23)10-17(27-19(20)9-15)13-4-6-14(24-3)7-5-13/h4-9,17H,10H2,1-3H3/t17-/m0/s1
InChIKey GBPOBPQHOJZONU-KRWDZBQOSA-N
Molecular Weight 370.357 g/mol
SMILES C1=2C(C[C@](OC2C=C(C=C1OC(=O)C)OC(=O)C)(C1=CC=C(C=C1)OC)[H])=O