3-Chloro-5-{(2E,6E)-7-[(2S)-5,5-Dimethyl-4-Oxotetrahydro-2-Furanyl]-3-Methyl-2,6-Octadien-1-Yl}-4,6-Dihydroxy-2-Methylbenzaldehyde

Molecule SVG Image

Properties Simple | Detailed

Formula C23H29ClO5
IUPAC Name 5-chloro-3-[(2e,6e)-7-[(2s)-5,5-dimethyl-4-oxo-tetrahydrofuran-2-yl]-3-methyl-octa-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde
Molecular Mass 420.926 g·mol−1
Heat of Formation -933.3 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 511.63 Å 3
Surface Area 366.46 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-2,4-dihydroxy-3-[(2e,6e)-7-[(2s)-4-keto-5,5-dimethyl-tetrahydrofuran-2-yl]-3-methyl-octa-2,6-dienyl]-6-methyl-benzaldehyde
  • 5-chloro-3-[(2e,6e)-7-[(2s)-5,5-dimethyl-4-oxo-2-tetrahydrofuranyl]-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
  • 5-chloro-3-[(2e,6e)-7-[(2s)-5,5-dimethyl-4-oxo-oxolan-2-yl]-3-methyl-octa-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde
  • 5-chloro-3-[(2e,6e)-7-[(2s)-5,5-dimethyl-4-oxo-tetrahydrofuran-2-yl]-3-methyl-octa-2,6-dienyl]-2,4-dihydroxy-6-methyl-benzaldehyde
  • 5-chloro-3-[(2e,6e)-7-[(2s)-5,5-dimethyl-4-oxooxolan-2-yl]-3-methylocta-2,6-dienyl]-2,4-dihydroxy-6-methylbenzaldehyde
  • ascofuranon
  • ascofuranone
  • benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-7-(tetrahydro-5,5-dime
  • benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3-methyl-7-(tetrahydro-5,5-dimethyl-4-oxo-2-furanyl)-2,6-octadienyl)-, (s-(e,e))-
CAS Number(s)
  • 38462-04-3
InChIKey VGYPZLGWVQQOST-JUERRSSISA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl