Totarol
Representations & DB's id
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| ChEBI: | CHEBI:69241 | |
|---|---|---|
| ChEMBL: | CHEMBL487602 | |
| PubChem: | 92783 | |
| IUPAC: | (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol | |
| Standard InChI: | InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1 | |
| Standard InChI Key: | ZRVDANDJSTYELM-FXAWDEMLSA-N | |
| SMILES: | CC(c1c(O)ccc2c1CC[C@@H]1[C@]2(C)CCCC1(C)C)C | |
Molecular propeties
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| AlogP: | 5.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.23 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 20 | |