betulin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 179
Total Number of Articles : 93
PubChem 72326
Molecular Formula

C30H50O2

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)CO

InChI

InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1

synonyms
  • Betulin
  • 473-98-3
  • Betulinol
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Properties
Property Value
MW 442.7 g/mol
HBD 2
HBA 2
Rotatable Bond Count 2
Exact Mass 442.381080833 g/mol
Monoisotopic Mass 442.381080833 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 786
xlogp 8.3
Topological Polar Surface Area 40.5