Tetrahymanol
(3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol
Also Known As: Tetrahymanol|Wallichiniol|gammaceran-3beta-ol|gammaceran-21alpha-ol|Gammaceran-3-ol|(3|A)-gammaceran-3-ol|5alpha-Gammaceran-3beta-ol|Gammaceran-3-ol, (3beta)-|KST-1A3067|HY-N8781|TN5136|(3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol|(3S,4AR,6AR,6BR,8AS,12AS,12BR,14AR,14BR)-4,4,6A,6B,9,9,12A,14B-OCTAMETHYL-DOCOSAHYDROPICEN-3-OL
| Molecular Formula | C30H52O |
|---|---|
| Molecular Weight | 428.40182 g/mol |
| LogP | 10.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 428.40182 |
| Monoisotopic Mass | 428.40182 |
| Heavy Atoms | 31 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 243-69-6 |
|---|---|
| SMILES | C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)(C)C |
| InChIKey | BFNSRKHIVITRJP-VJBYBJRLSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahymanol (CAS 243-69-6), with molecular formula C30H52O and molecular weight 428.40182 g/mol. IUPAC: (3S,4aR,6aR,6aR,6bR,8aS,12aS,14aR,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,8a,10,11,12,13,14,14a-hexadecahydropicen-3-ol.