Centarol
(1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol
Also Known As: Centarol|(1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol|(1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene-1,5-diol|(1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo(7)annulene-1,5-diol|4,4aalpha,5,6,7,8,9,9aalpha-Octahydro-2,5,9,9-tetramethyl-1H-benzocycloheptene-1beta,5beta-diol
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19328 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.19328 |
| Monoisotopic Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 57308-24-4 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@H]([C@H]1O)C(CCC[C@]2(C)O)(C)C |
| InChIKey | NUXLUAXOQWMFEE-CXTNEJHOSA-N |
Product Overview
Centarol (CAS 57308-24-4), with molecular formula C15H26O2 and molecular weight 238.19328 g/mol. IUPAC: (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol.
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