(1R,3R,7E,17β)-17-{(2S,3E,6R)-7-[(3S,5S,7S)-Adamantan-1-Yl]-6-Hydroxy-3-Hepten-2-Yl}-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C36H54O3 |
| IUPAC Name | (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1s,5r)-6-(1-adamantyl)-5-hydroxy-1-methyl-hex-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 534.812 g·mol−1 |
| Heat of Formation | -712.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.55 ± 1.08 D |
| Volume | 718.21 Å 3 |
| Surface Area | 537.24 Å 2 |
| HOMO Energy | -8.37 ± 0.55 eV |
| LUMO Energy | 3.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GRHLVEDNKGFBSH-QTTWWCOESA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |