ursolic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 690
Total Number of Articles : 563
PubChem 64945
Molecular Formula

C30H48O3

SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C30H48O3/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/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1

synonyms
  • Ursolic acid
  • 77-52-1
  • Prunol
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Properties
Property Value
MW 456.7 g/mol
HBD 2
HBA 3
Rotatable Bond Count 1
Exact Mass 456.36034539 g/mol
Monoisotopic Mass 456.36034539 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 874
xlogp 7.3
Topological Polar Surface Area 57.5