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(+-)-6,6-Dimethyl-10-(2,3-dimethyl-3-hydroxybutanoyl)-9-hydroxy-4-propyl-2H,6H-benzo[1,2-b:3,4:b']dipyran-2-one
SpectraBase Compound ID CSbw35ZQiT5
InChI InChI=1S/C23H28O6/c1-7-8-13-11-15(24)28-21-16(13)20-14(9-10-22(3,4)29-20)19(26)17(21)18(25)12(2)23(5,6)27/h9-12,26-27H,7-8H2,1-6H3
InChIKey UOYWKDJZABGIBH-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C23H28O6
Exact Mass 400.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OmvfMKMMMf
Name (+-)-6,6-dimethyl-10-(2,3-dimethyl-3-hydroxybutanoyl)-9-hydroxy-4-propyl-2H,6H-benzo[1,2-B:3,4:B']dipyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.188588616 u
Formula C23H28O6
InChI InChI=1S/C23H28O6/c1-7-8-13-11-15(24)28-21-16(13)20-14(9-10-22(3,4)29-20)19(26)17(21)18(25)12(2)23(5,6)27/h9-12,26-27H,7-8H2,1-6H3
InChIKey UOYWKDJZABGIBH-UHFFFAOYSA-N
Molecular Weight 400.471 g/mol
SMILES C=1(C2=C(C(CCC)=CC(O2)=O)C2=C(C1O)C=CC(O2)(C)C)C(C(C(O)(C)C)C)=O