4-[5-Acetoxy-8,8-Dimethyl-6-(3-Methyl-2-Buten-1-Yl)-4-Oxo-4H,8H-Pyrano[2,3-F]Chromen-3-Yl]-1,2-Phenylene Diacetate

Molecule SVG Image

Properties Simple | Detailed

Formula C31H30O9
IUPAC Name [2-acetoxy-4-[5-acetoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-pyrano[2,3-h]chromen-3-yl]phenyl] acetate
Molecular Mass 546.564 g·mol−1
Heat of Formation -1340.5 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 637.93 Å 3
Surface Area 523.96 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • [2-acetoxy-4-[5-acetoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-pyrano[6,5-h]chromen-3-yl]phenyl] acetate
  • [2-acetyloxy-4-[5-acetyloxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-pyrano[6,5-h]chromen-3-yl]phenyl] ethanoate
  • acetic acid [2-acetoxy-4-[5-acetoxy-4-keto-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[6,5-h]chromen-3-yl]phenyl] ester
  • acetic acid [2-acetoxy-4-[5-acetoxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-3-pyrano[6,5-h]chromenyl]phenyl] ester
  • pomiferin triacetate
  • pomiferin, triacetate
CAS Number(s)
  • 5436-25-9
InChIKey PEPZRPSXMUHEEA-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O