Lactucopicrin

Molecule SVG Image

Properties Simple | Detailed

Formula C23H22O7
IUPAC Name [(3ar,4s,9as,9br)-4-hydroxy-6-methyl-3-methylene-2,7-dioxo-4,5,9a,9b-tetrahydro-3ah-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
Molecular Mass 410.417 g·mol−1
Heat of Formation -960.2 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 470.9 Å 3
Surface Area 386.38 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-hydroxyphenyl)acetic acid [(3ar,4s,9as,9br)-4-hydroxy-2,7-diketo-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[7,8-d]furan-9-yl]methyl ester
  • 2-(4-hydroxyphenyl)acetic acid [(3ar,4s,9as,9br)-4-hydroxy-6-methyl-3-methylene-2,7-dioxo-4,5,9a,9b-tetrahydro-3ah-azuleno[8,7-b]furan-9-yl]methyl ester
  • [(3ar,4s,9as,9br)-4-hydroxy-6-methyl-3-methylene-2,7-dioxo-4,5,9a,9b-tetrahydro-3ah-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
  • [(3ar,4s,9as,9br)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3ah-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
  • [(3ar,4s,9as,9br)-4-hydroxy-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3ah-azuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)ethanoate
  • intybin
  • lactucopicrin3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methyleneazuleno(4,5-b)furan-2,7-dione p-hydroxyphenylacetate hydrate
CAS Number(s)
  • 6466-74-6
InChIKey QCDLLIUTDGNCPO-AEMJNJESSA-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