Posoquenin
methyl 5,6,7-trihydroxy-7-methyl-1-oxo-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Posoquenin|methyl 5,6,7-trihydroxy-7-methyl-1-oxo-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate|1,4a,5,6,7,7a-Hexahydro-5,6,7-trihydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid methyl ester|Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-5,6,7-trihydroxy-7-methyl-1-oxo-, methyl ester|Methyl 5,6,7-trihydroxy-7-methyl-1-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate|methyl 5,6,7-trihydroxy-7-methyl-1-oxo-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylate|methyl 5,6,7-trihydroxy-7-methyl-1-oxo-4a,5,6,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate
| Molecular Formula | C11H14O7 |
|---|---|
| Molecular Weight | 258.07394 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.07394 |
| Monoisotopic Mass | 258.07394 |
| Heavy Atoms | 18 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 75853-66-6 |
|---|---|
| SMILES | CC1(C2C(C(C1O)O)C(=COC2=O)C(=O)OC)O |
| InChIKey | QWQJCCRASRUSDH-UHFFFAOYSA-N |
Product Overview
Posoquenin (CAS 75853-66-6), with molecular formula C11H14O7 and molecular weight 258.07394 g/mol. IUPAC: methyl 5,6,7-trihydroxy-7-methyl-1-oxo-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
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