581-43-1 Purity
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Specification
The molecular formula of (+)-cucurbic acid is C12H20O3.
The molecular weight of (+)-cucurbic acid is 212.28 g/mol.
The IUPAC name of (+)-cucurbic acid is 2-[(1R,2S,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid.
The InChI of (+)-cucurbic acid is InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+,11+/m1/s1.
The InChIKey of (+)-cucurbic acid is LYSGIJUGUGJIPS-UOMVISFLSA-N.
The canonical SMILES of (+)-cucurbic acid is CCC=CCC1C(CCC1O)CC(=O)O.
The CAS number of (+)-cucurbic acid is 58240-50-9.
The ChEMBL ID of (+)-cucurbic acid is CHEMBL2272539.
(+)-cucurbic acid has 2 hydrogen bond donor counts.
(+)-cucurbic acid has 5 rotatable bond counts.