(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(2R,3E,5S)-5,6-Dimethyl-3,6-Heptadien-2-Yl]-6,10-Dimethyl-16,17-Dioxapentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]Nonadec-18-En-13-Ol
Properties
Property | Value |
---|---|
Formula | C28H42O3 |
IUPAC Name | (1s,2r,5r,6r,9r,10r,13s,15s)-6,10-dimethyl-5-[(1r,2e,4s)-1,4,5-trimethylhexa-2,5-dienyl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol |
Molecular Mass | 426.631 g·mol−1 |
Heat of Formation | -344.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.10 ± 1.08 D |
Volume | 560.51 Å 3 |
Surface Area | 432.02 Å 2 |
HOMO Energy | -8.91 ± 0.55 eV |
LUMO Energy | 0.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | MSFASZXZLNRTBR-KGHQQZOUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |