O-Methyl Sugiyl Ether
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL376833 | |
| PubChem: | 11186112 | |
| IUPAC: | (4aS,10aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one | |
| Standard InChI: | InChI=1S/C21H30O2/c1-13(2)14-10-15-16(11-18(14)23-6)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-11,13,19H,7-9,12H2,1-6H3/t19-,21+/m0/s1 | |
| Standard InChI Key: | DMYISGJMGRTXJW-PZJWPPBQSA-N | |
| SMILES: | COc1cc2c(cc1C(C)C)C(=O)C[C@@H]1[C@]2(C)CCCC1(C)C | |
Molecular propeties
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| AlogP: | 5.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 314.22 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 21 | |