(S)-8,8-Dimethyl-2-Oxo-7,8-Dihydro-2H,6H-Pyrano(3,2-G)Chromen-7-Yl 3-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C19H21O5+
IUPAC Name [(3s)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
Molecular Mass 329.367 g·mol−1
Heat of Formation -771.3 ± 16.7 kJ·mol−1
Dipole Moment 9.88 ± 1.08 D
Volume 386.66 Å 3
Surface Area 346.19 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-7,8-dihydro-8,8-dimethyl-2-oxo-2h,6h-benzo(1,2-b:5,4-b')dipyran-7-yl 3-methyl-2-butenoate
  • 2-butenoic acid, 3-methyl-, 7,8-dihydro-8,8-dimethyl-2-oxo-2h,6h-benzo(1,2-b:5,4-b')dipyran-7-yl ester, (s)-
  • 3-methylbut-2-enoic acid [(7s)-2-keto-8,8-dimethyl-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester
  • 3-methylbut-2-enoic acid [(7s)-8,8-dimethyl-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] ester
  • [(7s)-8,8-dimethyl-2-oxo-6,7-dihydropyrano[5,6-g]chromen-7-yl] 3-methylbut-2-enoate
  • decursin
  • decursinol angelate
CAS Number(s)
  • 5928-25-6
InChIKey CUKSFECWKQBVED-INIZCTEOSA-N
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