(1S,3R,5E,7E,23R)-1,3,23,25-Tetrahydroxy-9,10-Secocholesta-5,7,10-Trien-24-One
Properties
| Property | Value |
|---|---|
| Formula | C27H42O5 |
| IUPAC Name | (6r)-6-[(1r,3as,7ar)-4-[2-[(3s,5s)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2,4-dihydroxy-2-methyl-heptan-3-one |
| Molecular Mass | 446.619 g·mol−1 |
| Heat of Formation | -1039.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.19 ± 1.08 D |
| Volume | 590.28 Å 3 |
| Surface Area | 469.0 Å 2 |
| HOMO Energy | -9.03 ± 0.55 eV |
| LUMO Energy | 3.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ARRIBDAUGOLZSJ-ZXKUVYHPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |