(1R,3S,5Z)-5-[(2E)-2-{(1R,3As,7Ar)-1-[(2S,3S)-3-(2-Hydroxyethyl)-2-Heptanyl]-7A-Methyloctahydro-4H-Inden-4-Ylidene}Ethylidene]-4-Methylene-1,3-Cyclohexanediol
Properties
| Property | Value |
|---|---|
| Formula | C28H46O3 |
| IUPAC Name | (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1s,2s)-2-(2-hydroxyethyl)-1-methyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 430.663 g·mol−1 |
| Heat of Formation | -722.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.28 ± 1.08 D |
| Volume | 587.99 Å 3 |
| Surface Area | 466.77 Å 2 |
| HOMO Energy | -8.61 ± 0.55 eV |
| LUMO Energy | -0.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MBUIFNPNESWHQQ-LZGZZAKVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |