(1R,2R,6S,7R,9S,12R,15R)-13-Hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-4-ene-3,11-dione
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1544783 | |
| PubChem: | 16745514 | |
| IUPAC: | (1R,2R,6S,7R,9S,12R,15R)-13-hydroxy-2,7,12,13-tetramethyl-10,14-dioxatetracyclo[7.5.1.02,6.012,15]pentadec-4-ene-3,11-dione | |
| Standard InChI: | InChI=1S/C17H22O5/c1-8-7-10-12-13(15(2)9(8)5-6-11(15)18)22-17(4,20)16(12,3)14(19)21-10/h5-6,8-10,12-13,20H,7H2,1-4H3/t8-,9-,10+,12-,13-,15+,16+,17?/m1/s1 | |
| Standard InChI Key: | CNIULSUYTFOEHN-OEHPVWETSA-N | |
| SMILES: | C[C@@H]1C[C@@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@]2([C@@H]1C=CC2=O)C)OC3(C)O)C | |
Molecular propeties
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| AlogP: | 1.44 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 306.15 | |
| Topological polar surface area: | 72.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.765 | |
| Number of carbons: | 17 | |