(3Ar,4S,9As,9Br)-4-Hydroxy-9-(Hydroxymethyl)-6-Methyl-3-Methylene-3,3A,4,5,9A,9B-Hexahydroazuleno[4,5-B]Furan-2,7-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C15H16O5
IUPAC Name (3ar,4s,9as,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[4,5-b]furan-2,7-dione
Molecular Mass 276.285 g·mol−1
Heat of Formation -705.8 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 314.65 Å 3
Surface Area 269.15 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,9as,9br)-4-hydroxy-6-methyl-3-methylene-9-methylol-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-quinone
  • (3ar,4s,9as,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-dione
  • (3ar,4s,9as,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-dione
  • lactucin
CAS Number(s)
  • 1891-29-8
InChIKey VJQAFLAZRVKAKM-VZLIPTOUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O