Meso-3,3'-Didemethoxynectandrin B
Representations & DB's id
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| ChEBI: | CHEBI:69247 | |
|---|---|---|
| ChEMBL: | CHEMBL2147417 | |
| PubChem: | 14213224 | |
| IUPAC: | 4-[(2R,3R,4S,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol | |
| Standard InChI: | InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18+ | |
| Standard InChI Key: | PIBJADPEZQHMQS-FRVJLOGJSA-N | |
| SMILES: | C[C@@H]1[C@H](O[C@H]([C@@H]1C)c1ccc(cc1)O)c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | 4.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 284.14 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 18 | |