(1R,3R,7E,9β,17β)-9-Butyl-17-[(2R)-6-Hydroxy-6-Methyl-2-Heptanyl]-9,10-Secoestra-5,7-Diene-1,3-Diol
Properties
| Property | Value |
|---|---|
| Formula | C30H52O3 |
| IUPAC Name | (1r,3r)-5-[(2e)-2-[(1r,3ar,5r,7ar)-5-butyl-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol |
| Molecular Mass | 460.732 g·mol−1 |
| Heat of Formation | -920.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.42 ± 1.08 D |
| Volume | 644.93 Å 3 |
| Surface Area | 526.62 Å 2 |
| HOMO Energy | -8.83 ± 0.55 eV |
| LUMO Energy | 3.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HGPWGYLACPHOSW-ZOBUFXTASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |