×
![]()
Chemical Molecules
Molecule Details
| Molecule ID | MOL63 | ||
| Compound Name | cholesta-3,5-dien-7-one | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
|
Primary Details
| Compound Name | cholesta-3,5-dien-7-one |
| Synonym Name | DELTA.3,5-Cholestadien-7-one, 3,5-Cholestadien-7-one |
| CAS ID | 567-72-6 |
| IUPAC Name | |
| Molecular Formula | |
| Chemical Safety | |
| External Database ID |
5283627 |
| Inchi | InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25+,26+,27-/m1/s1 |
| INCHI Key | TTXJJFWWNDJDNR-CZRUWHASSA-N |
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC=C4)C)C |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | - |
| Sub-Group 2 | - |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
|
Chemical & Physical Properties
| Molecular Weight | 382.6 g/mol |
| LogP (Octanol-Water) | 6.897 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 5 |
| Topological Surface Area | 17.1 Ų |
| Heavy Atom Count | 28 |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | Nil |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecule Stability | Nil |
| Kovats retention Index | Nil |
| Physical Description |
|
Spectra Information
Biological Activities
| Activity Name | |
| Molecule Target | |
| Comment |
|
| References |
|