(3R,8S,9S,12R)-1-Hydroxy-14-(2-Hydroxy-2-Propanyl)-13-Methyl-4,7,10-Trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]Tetradecane-6,11-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C15H18O7
IUPAC Name (1s,3s,5r,9s,12r,13s,14r)-1-hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1 9,12 .0 3,5 .0 5,13 ]tetradecane-6,11-dione
Molecular Mass 310.299 g·mol−1
Heat of Formation -1104.3 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 338.11 Å 3
Surface Area 270.44 Å 2
HOMO Energy -10.50 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • tnp00133
InChIKey RYEFFICCPKWYML-UCTDWJHASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O