oleanonic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 3
PubChem 12313704
Molecular Formula

C30H46O3

SMILES

C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C

InChI

InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1

synonyms
  • oleanonic acid
  • 17990-42-0
  • Olean-12-en-28-oic acid, 3-oxo-
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Properties
Property Value
MW 454.7 g/mol
HBD 1
HBA 3
Rotatable Bond Count 1
Exact Mass 454.34469533 g/mol
Monoisotopic Mass 454.34469533 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 927
xlogp 7.2
Topological Polar Surface Area 54.4