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7H-Furo[3,2-g][1]benzopyran-7-one, 9-[2-(acetyloxy)-4-(2,5-dihydro-4-methyl-5-oxo-2-furanyl)-3-hydroxy-3-methylbutoxy]-
SpectraBase Compound ID 4ySI3vwoSf8
InChI InChI=1S/C23H22O9/c1-12-8-16(31-22(12)26)10-23(3,27)17(30-13(2)24)11-29-21-19-15(6-7-28-19)9-14-4-5-18(25)32-20(14)21/h4-9,16-17,27H,10-11H2,1-3H3
InChIKey PVRODIMEZXVZJC-UHFFFAOYSA-N
Mol Weight 442.42 g/mol
Molecular Formula C23H22O9
Exact Mass 442.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IK4vwi3kuc8
Name 7H-Furo[3,2-G][1]benzopyran-7-one, 9-[2-(acetyloxy)-4-(2,5-dihydro-4-methyl-5-oxo-2-furanyl)-3-hydroxy-3-methylbutoxy]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.126382279 u
Formula C23H22O9
InChI InChI=1S/C23H22O9/c1-12-8-16(31-22(12)26)10-23(3,27)17(30-13(2)24)11-29-21-19-15(6-7-28-19)9-14-4-5-18(25)32-20(14)21/h4-9,16-17,27H,10-11H2,1-3H3
InChIKey PVRODIMEZXVZJC-UHFFFAOYSA-N
Molecular Weight 442.420 g/mol
SMILES C1(=C2OC(=O)C=CC2=CC2=C1OC=C2)OCC(C(CC1OC(=O)C(=C1)C)(O)C)OC(=O)C