Posoquenin structure

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

CAS: 75853-66-6
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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