betulinic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 495
Total Number of Articles : 356
PubChem 64971
Molecular Formula

C30H48O3

SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O

InChI

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/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

synonyms
  • betulinic acid
  • 472-15-1
  • Mairin
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Properties
Property Value
MW 456.7 g/mol
HBD 2
HBA 3
Rotatable Bond Count 2
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 861
xlogp 8.2
Topological Polar Surface Area 57.5