9-Hydroxy-5,6-Dimethyl-3-[(5-Phenyl-2-Pentanyl)Oxy]-5,6,6A,7,8,9,10,10A-Octahydro-1-Phenanthridinyl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C28H37NO4 |
| IUPAC Name | [(5s,6s,6ar,9r,10as)-9-hydroxy-5,6-dimethyl-3-[(1s)-1-methyl-4-phenyl-butoxy]-6a,7,8,9,10,10a-hexahydro-6h-phenanthridin-1-yl] acetate |
| Molecular Mass | 451.598 g·mol−1 |
| Heat of Formation | -290.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.98 ± 1.08 D |
| Volume | 561.87 Å 3 |
| Surface Area | 468.19 Å 2 |
| HOMO Energy | -8.00 ± 0.55 eV |
| LUMO Energy | -0.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TYTNJHKTKQNNKL-RFQYJGCESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |