(2R,5S,6S,9R,13S,15S)-6-[(2S,3E,5R)-2,5-Dihydroxy-3-Hexen-2-Yl]-15-Hydroxy-5-Methyltetracyclo[11.4.1.0~2,10~.0~5,9~]Octadeca-1(17),10-Dien-12-One
Properties
Property | Value |
---|---|
Formula | C25H36O4 |
IUPAC Name | (2r,5s,6s,9r,13s,15s)-6-[(2s,3e,5r)-2,5-dihydroxy-3-hexen-2-yl]-15-hydroxy-5-methyltetracyclo[11.4.1.0 2,10 .0 5,9 ]octadeca-1(17),10-dien-12-one |
Molecular Mass | 400.551 g·mol−1 |
Heat of Formation | -753.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.94 ± 1.08 D |
Volume | 507.72 Å 3 |
Surface Area | 400.01 Å 2 |
HOMO Energy | -9.54 ± 0.55 eV |
LUMO Energy | 0.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | QZAMIRPHNVBTIV-HRXCHONESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |