δ-Tocotrienol

Chemical Information
Delta-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2. It has a role as an antineoplastic agent, a bone density conservation agent, a radiation protective agent, an anti-inflammatory agent, an apoptosis inducer, a NF-kappaB inhibitor, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a vitamin E and a tocotrienol.
| CAS Number | 25612-59-3 |
| PubChem CID | 5282350 |
| IUPAC Name | (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol |
| Molecular Formula | C27H40O2 |
| Molecular Weight | 396.6 |
| XLogP | 8.6 |
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 596 |
| Property | Value |
|---|---|
| Molecular Weight | 396.6 |
| XLogP3 | 8.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 396.302830514 |
| Monoisotopic Mass | 396.302830514 |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 596 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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