(1R,10R,13R,15S)-9,9,13-Trimethyl-5-pentyl-8,14-dioxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-3-ol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3586109 | |
| PubChem: | 122180087 | |
| IUPAC: | (1R,10R,13R,15S)-9,9,13-trimethyl-5-pentyl-8,14-dioxatetracyclo[8.5.0.02,7.013,15]pentadeca-2,4,6-trien-3-ol | |
| Standard InChI: | InChI=1S/C21H30O3/c1-5-6-7-8-13-11-15(22)18-16(12-13)23-20(2,3)14-9-10-21(4)19(24-21)17(14)18/h11-12,14,17,19,22H,5-10H2,1-4H3/t14-,17-,19+,21-/m1/s1 | |
| Standard InChI Key: | VSQGBNUBIDZRPJ-BWZSVYRMSA-N | |
| SMILES: | CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2[C@@H]2O[C@@]2(CC1)C)(C)C | |
Molecular propeties
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| AlogP: | 4.95 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 330.22 | |
| Topological polar surface area: | 42 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.714 | |
| Number of carbons: | 21 | |