(1R,3R,9S,11S)-7-(3,4-Dihydroxybenzoyl)-4,4,10,10-Tetramethyl-3,9,11-Tris(3-Methyl-2-Buten-1-Yl)-5-Oxatricyclo[7.3.1.0~1,6~]Tridec-6-Ene-8,13-Dione
Properties
Property | Value |
---|---|
Formula | C38H50O6 |
IUPAC Name | (1r,3r,9s,11s)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione |
Molecular Mass | 602.800 g·mol−1 |
Heat of Formation | -1084.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.39 ± 1.08 D |
Volume | 770.15 Å 3 |
Surface Area | 515.83 Å 2 |
HOMO Energy | -8.96 ± 0.55 eV |
LUMO Energy | 2.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | KXTNVBQRLRYVCO-MWVHARJDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |