(1S,2S,5R,8R,9S,10S,11R,12R)-5,12-Dihydroxy-11-Methyl-6-Methylene-16-Oxo-15-Oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]Heptadec-13-Ene-9-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C19H22O6
IUPAC Name (1s,2s,5r,8r,9s,10s,11r,12r)-5,12-dihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1 5,8 .0 1,10 .0 2,8 ]heptadec-13-ene-9-carboxylic acid
Molecular Mass 346.374 g·mol−1
Heat of Formation -971.6 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 389.42 Å 3
Surface Area 304.67 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2,7-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
  • 4a,1-(epoxymethano)-7,9a-methanobenz[a]azulene-10-carboxylic acid, 1,2,4b,5,6,7,8,9,10,10a-decahydro-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-
InChIKey IXORZMNAPKEEDV-ONCPESLXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O