25122-46-7 Purity
98%
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The PubChem CID of Dihydrobetulonic acid is 467411.
The molecular formula of Dihydrobetulonic acid is C30H48O3.
The synonyms of Dihydrobetulonic acid include dihydrobetulonic acid, CHEMBL296567, SCHEMBL3276418, and 3-Deoxy-3-oxo-dihydrobetulinic acid.
The molecular weight of Dihydrobetulonic acid is 456.7 g/mol.
Dihydrobetulonic acid was created on August 1, 2005.
Dihydrobetulonic acid was last modified on December 2, 2023.
The IUPAC Name of Dihydrobetulonic acid is (1S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid.
The InChI of Dihydrobetulonic acid is InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h18-22,24H,8-17H2,1-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1.
The InChIKey of Dihydrobetulonic acid is OUAPNSVTUJNUMW-SVAFSPIFSA-N.
The Canonical SMILES of Dihydrobetulonic acid is CC(C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)O.