Sclareol

Chemical Information
Sclareol is a labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. It has a role as an antimicrobial agent, an antifungal agent, a fragrance, an apoptosis inducer and a plant metabolite.
| CAS Number | 515-03-7 |
| PubChem CID | 163263 |
| IUPAC Name | (1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol |
| Molecular Formula | C20H36O2 |
| Molecular Weight | 308.5 |
| XLogP | 4.9 |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 429 |
| Property | Value |
|---|---|
| Molecular Weight | 308.5 |
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.271530387 |
| Monoisotopic Mass | 308.271530387 |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 429 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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