28-demethyl-beta-amyrone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 101616676
Molecular Formula

C29H46O

SMILES

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

InChI

InChI=1S/C29H46O/c1-25(2)14-10-19-11-16-28(6)21(20(19)18-25)8-9-23-27(5)15-13-24(30)26(3,4)22(27)12-17-29(23,28)7/h8,19-20,22-23H,9-18H2,1-7H3/t19-,20-,22+,23-,27+,28-,29-/m1/s1

synonyms
  • 73493-60-4
  • 28-demethyl-beta-amyrone
  • 28-demethyl-|A-amyrone
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Properties
Property Value
MW 410.7 g/mol
HBD 0
HBA 1
Rotatable Bond Count 0
Exact Mass 410.354866087 g/mol
Monoisotopic Mass 410.354866087 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 786
xlogp 8.4
Topological Polar Surface Area 17.1