(2E,4E)-5-{(1R,7S,8S,9R)-7-Acetoxy-4-[(Benzyloxy)Carbonyl]-9-Methyl-11-Oxo-10-Oxatricyclo[6.3.2.0~1,7~]Tridec-3-En-9-Yl}-2-Methyl-2,4-Pentadienoic Acid
Properties
Property | Value |
---|---|
Formula | C29H32O8 |
IUPAC Name | (2e,4e)-5-{(1r,7s,8s,9r)-7-acetoxy-4-[(benzyloxy)carbonyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0 1,7 ]tridec-3-en-9-yl}-2-methyl-2,4-pentadienoic acid |
Molecular Mass | 508.560 g·mol−1 |
Heat of Formation | -1294.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.31 ± 1.08 D |
Volume | 602.25 Å 3 |
Surface Area | 451.8 Å 2 |
HOMO Energy | -9.44 ± 0.55 eV |
LUMO Energy | -0.59 ± eV |
Point Group Symmetry | C1 |
InChIKey | XHPNLBVALGFSQD-NYRWZICESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |