(1R,3R,7E,17β)-17-[(2R,6S)-7-(Adamantan-1-Yl)-6-Hydroxy-4-Heptyn-2-Yl]-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C36H52O3 |
| IUPAC Name | (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r,5r)-6-(1-adamantyl)-5-hydroxy-1-methyl-hex-3-ynyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 532.796 g·mol−1 |
| Heat of Formation | -510.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.94 ± 1.08 D |
| Volume | 702.08 Å 3 |
| Surface Area | 567.61 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | 0.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UFJLHOSCLNTAFF-ICORUNMPSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |