Ponalactone A
(1S,2R,4S,5R,6R,9R,12R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione
Also Known As: Ponalactone A|(1S,2R,4S,5R,6R,9R,12R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione|(1aS,2R,2aR,4aR,4bR,6R,9bS,9cR)-2-Hydroxy-2a,9b-dimethyl-6-(propan-2-yl)-1a,2,2a,4a,4b,6,9b,9c-octahydro-3H,8H-furo[2',3',4':4,5]oxireno[7,8]naphtho[2,1-c]pyran-3,8-dione|[(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
| Molecular Formula | C19H22O6 |
|---|---|
| Molecular Weight | 346.14163 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.14163 |
| Monoisotopic Mass | 346.14163 |
| Heavy Atoms | 25 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 33722-77-9 |
|---|---|
| SMILES | CC(C)[C@@H]1C2=C[C@@H]3[C@H]4[C@]([C@H]([C@H]5[C@@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C |
| InChIKey | KDORDIOOUCRJPK-PAFIYYKWSA-N |
Product Overview
Ponalactone A (CAS 33722-77-9), with molecular formula C19H22O6 and molecular weight 346.14163 g/mol. IUPAC: (1S,2R,4S,5R,6R,9R,12R,17R)-5-hydroxy-1,6-dimethyl-12-propan-2-yl-3,8,13-trioxapentacyclo[7.7.1.02,4.06,17.011,16]heptadeca-10,15-diene-7,14-dione.