beta-amyrin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 87
Total Number of Articles : 48
PubChem 73145
Molecular Formula

C30H50O

SMILES

C[C@@]12CC[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]1CC(CC2)(C)C)C

InChI

InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1

synonyms
  • beta-Amyrin
  • 559-70-6
  • Amyrin
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Properties
Property Value
MW 426.7 g/mol
HBD 1
HBA 1
Rotatable Bond Count 0
Exact Mass 426.386166214 g/mol
Monoisotopic Mass 426.386166214 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 790
xlogp 9.2
Topological Polar Surface Area 20.2