[(1Ar,1Br,2S,3R,4Ar,6E,7Ar,8As,10Ar)-2-Hydroxy-6-(Hydroxymethyl)-8,8,10A-Trimethyl-5-Oxo-4A-{[(2E)-3-Phenyl-2-Propenoyl]Oxy}-1B,2,3,4,4A,5,7A,8,8A,9,10,10A-Dodecahydro-1Ah-Cyclopenta[10,11]Cyclopropa[5,6]Cycloundeca[1,2-B]Oxiren-3-Yl]Methyl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C36H40O8 |
| IUPAC Name | [(1ar,1br,2s,3r,4ar,6e,7ar,8as,10ar)-2-hydroxy-6-(hydroxymethyl)-8,8,10a-trimethyl-5-oxo-4a-{[(2e)-3-phenyl-2-propenoyl]oxy}-1b,2,3,4,4a,5,7a,8,8a,9,10,10a-dodecahydro-1ah-cyclopenta[10,11]cyclopropa[5,6]cycloundeca[1,2-b]oxiren-3-yl]methyl benzoate |
| Molecular Mass | 600.698 g·mol−1 |
| Heat of Formation | -1022.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.34 ± 1.08 D |
| Volume | 717.93 Å 3 |
| Surface Area | 549.33 Å 2 |
| HOMO Energy | -9.89 ± 0.55 eV |
| LUMO Energy | 1.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PEVFNBJFZXFZJR-SLRBYILLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |