(1S,3R,5Z,7Z,14β)-9,10-Secocholesta-5,7,10-Trien-23-Yne-1,3,25-Triol
Properties
| Property | Value |
|---|---|
| Formula | C27H40O3 |
| IUPAC Name | (1r,3s,5z)-5-[(2z)-2-[(1r,3ar,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 412.605 g·mol−1 |
| Heat of Formation | -483.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.00 ± 1.08 D |
| Volume | 559.14 Å 3 |
| Surface Area | 438.31 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | 3.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BUDPDEVHCQIFNU-PUBYVPDWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |