1989-52-2 Purity
98%+
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Specification
The molecular formula of ursonic acid is C30H46O3.
The molecular weight of ursonic acid is 454.7 g/mol.
The IUPAC name of ursonic acid is (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
The InChI of ursonic acid is InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1.
The canonical SMILES of ursonic acid is CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C2C1C)C)C)C(=O)O.
The CAS number of ursonic acid is 6246-46-4.
The ChEMBL ID of ursonic acid is CHEMBL487887.
There is 1 hydrogen bond donor in ursonic acid.
There are 3 hydrogen bond acceptors in ursonic acid.