11H-Dibenzo(B,E)(1,4)Dioxepin-4-Carboxaldehyde, 3,8-Dihydroxy-1,6-Dimethyl-7-(3-Methyl-2-Butenyl)-11-Oxo-

Molecule SVG Image

Properties Simple | Detailed

Formula C21H20O6
IUPAC Name 3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde
Molecular Mass 368.380 g·mol−1
Heat of Formation -863.2 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 418.77 Å 3
Surface Area 361.77 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxo-10-benzo[b][1,4]benzodioxepinecarboxaldehyde
  • 3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
  • 3,9-dihydroxy-6-keto-1,7-dimethyl-2-(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepine-10-carbaldehyde
  • mollicellin g
CAS Number(s)
  • 68455-08-3
InChIKey YCVIERNKAZOGOU-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