[(9R,10R)-9-Acetyloxy-8,8-Dimethyl-2-Oxo-9,10-Dihydropyrano[2,3-F]Chromen-10-Yl] (Z)-2-Methylbut-2-Enoate
Representations & DB's id
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| ChEBI: | CHEBI:8632 | |
|---|---|---|
| ChEMBL: | CHEMBL1884860 | |
| PubChem: | 5281425 | |
| IUPAC: | [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate | |
| Standard InChI: | InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1 | |
| Standard InChI Key: | LYUZYPKZQDYMEE-YRCPKEQFSA-N | |
| SMILES: | C/C=C(C(=O)O[C@@H]1c2c(ccc3c2oc(=O)cc3)OC([C@@H]1OC(=O)C)(C)C)/C | |
Molecular propeties
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| AlogP: | 3.45 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 386.14 | |
| Topological polar surface area: | 88.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.381 | |
| Number of carbons: | 21 | |