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2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 3,4-dihydro-5-hydroxy-2,2-dimethyl-8-[2,4,5-trihydroxy-3-(3-methylbut yl)phenyl]-
SpectraBase Compound ID 98f8a0C6nYX
InChI InChI=1S/C25H28O7/c1-12(2)5-6-14-22(28)15(9-17(27)23(14)29)18-10-16(26)21-20(31-18)11-19-13(24(21)30)7-8-25(3,4)32-19/h9-12,27-30H,5-8H2,1-4H3
InChIKey CFFQRKJFJXQTTO-UHFFFAOYSA-N
Mol Weight 440.49 g/mol
Molecular Formula C25H28O7
Exact Mass 440.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37dJg8dYSvN
Name 2H,6H-Benzo[1,2-B:5,4-B']dipyran-6-one, 3,4-dihydro-5-hydroxy-2,2-dimethyl-8-[2,4,5-trihydroxy-3-(3-methylbut yl)phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.183503235 u
Formula C25H28O7
InChI InChI=1S/C25H28O7/c1-12(2)5-6-14-22(28)15(9-17(27)23(14)29)18-10-16(26)21-20(31-18)11-19-13(24(21)30)7-8-25(3,4)32-19/h9-12,27-30H,5-8H2,1-4H3
InChIKey CFFQRKJFJXQTTO-UHFFFAOYSA-N
Molecular Weight 440.492 g/mol
SMILES C1(C=2C(=C(CCC(C)C)C(=C(C2)O)O)O)=CC(=O)C2=C(O1)C=C1C(CCC(O1)(C)C)=C2O