(9R,10R)-9-Acetoxy-8,8-Dimethyl-2-Oxo-9,10-Dihydro-2H,8H-Pyrano[2,3-F]Chromen-10-Yl 3-Methylbutanoate

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Properties Simple | Detailed

Formula C21H25O7+
IUPAC Name [(9r,10r)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbutanoate
Molecular Mass 389.419 g·mol−1
Heat of Formation -1205.2 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 465.1 Å 3
Surface Area 365.89 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (9r-cis)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2h,8h-benzo(1,2-b:3,4-b')dipyran-10-yl 3-methylbutanoate
  • 3'-o-acetyl-4'-o-isopentanoyl-(+)-cis-khellactone
  • 3'-o-acetyl-4'-o-isovaleryl-cis-khellactone
  • 3-methylbutanoic acid [(9r,10r)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
  • 3-methylbutyric acid [(9r,10r)-9-acetoxy-2-keto-8,8-dimethyl-9,10-dihydropyrano[6,5-h]chromen-10-yl] ester
  • [(9r,10r)-9-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] 3-methylbutanoate
  • [(9r,10r)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[6,5-h]chromen-10-yl] 3-methylbutanoate
  • butanoic acid, 3-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2h,8h-benzo(1,2-b:3,4-b')dipyran-10-yl ester, (9r-cis)-
  • pyranocoumarin ibucoo deriv.
  • saxdorphin
  • suksdorfin
CAS Number(s)
  • 53023-17-9
InChIKey KLUTZDJBVDPOFE-WOJBJXKFSA-N
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