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Chemical Molecules
Molecule Details
| Molecule ID | MOL29 | ||
| Compound Name | (-)-Epicedrol | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | (-)-Epicedrol |
| Synonym Name | epi-Cedrol, 8-epicedrol, and Cedran-8-ol |
| CAS ID | 19903-73-2 |
| IUPAC Name | (1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol |
| Molecular Formula | C15H26O |
| Chemical Safety | Nil |
| External Database ID |
6713078 |
| Inchi | InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1 |
| INCHI Key | SVURIXNDRWRAFU-MIBAYGRRSA-N |
| Canonical SMILES | CC1CCC2C13CCC(C(C3)C2(C)C)(C)O |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | Terpenoids (Isoprenoids) |
| Sub-Group 2 | sesquiterpenoid |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
Epi-cedrol is the 8S-epimer of cedrol. It has a role as a plant metabolite. It is a cedrane sesquiterpenoid and a tertiary alcohol. |
Chemical & Physical Properties
| Molecular Weight | 222.37 g/mol |
| LogP (Octanol-Water) | 4.031 |
| Hydrogen Donor Count | 1 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 0 |
| Topological Surface Area | 20.2 Ų |
| Heavy Atom Count | 16 |
| 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 | Semi-standard non-polar: 1669 |
| Physical Description |
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Spectra Information
Biological Activities
| Activity Name | anti-inflammatory |
| Molecule Target | |
| Comment |
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| References |
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