(1S,2S,3R,4S,7R,9S,10S,11S,14S)-4-Acetoxy-9,11,14-Trihydroxy-10,13,16,16-Tetramethyl-18-Oxo-6,17-Dioxapentacyclo[9.4.3.0~1,12~.0~3,10~.0~4,7~]Octadec-12-En-2-Yl Benzoate
Properties
Property | Value |
---|---|
Formula | C29H34O10 |
IUPAC Name | (1s,2s,3r,4s,7r,9s,10s,11s,14s)-4-acetoxy-9,11,14-trihydroxy-10,13,16,16-tetramethyl-18-oxo-6,17-dioxapentacyclo[9.4.3.0 1,12 .0 3,10 .0 4,7 ]octadec-12-en-2-yl benzoate |
Molecular Mass | 542.574 g·mol−1 |
Heat of Formation | -1656.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.85 ± 1.08 D |
Volume | 601.72 Å 3 |
Surface Area | 415.32 Å 2 |
HOMO Energy | -9.47 ± 0.55 eV |
LUMO Energy | 2.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | CIHPBJOPSVVYIO-RFIZPCKGSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |