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Astragalin, heptamethyl ether

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Astragalin, heptamethyl ether
SpectraBase Compound ID 2NGchHQ8Iy7
InChI InChI=1S/C28H34O11/c1-30-14-20-24(34-5)26(35-6)27(36-7)28(38-20)39-25-22(29)21-18(33-4)12-17(32-3)13-19(21)37-23(25)15-8-10-16(31-2)11-9-15/h8-13,20,24,26-28H,14H2,1-7H3/t20-,24-,26+,27-,28+/m1/s1
InChIKey ANHRREFUGCZUNU-DCLXZINWSA-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 EFKwRHp9z2i
Name Astragalin, heptamethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 546.210111904 u
Formula C28H34O11
InChI InChI=1S/C28H34O11/c1-30-14-20-24(34-5)26(35-6)27(36-7)28(38-20)39-25-22(29)21-18(33-4)12-17(32-3)13-19(21)37-23(25)15-8-10-16(31-2)11-9-15/h8-13,20,24,26-28H,14H2,1-7H3/t20-,24-,26+,27-,28+/m1/s1
InChIKey ANHRREFUGCZUNU-DCLXZINWSA-N
Molecular Weight 546.569 g/mol
SMILES C1(=C(C(=O)C2=C(OC)C=C(OC)C=C2O1)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])C1=CC=C(OC)C=C1