obacunone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 34
Total Number of Articles : 17
PubChem 119041
Molecular Formula

C26H30O7

SMILES

C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)(C)C)C

InChI

InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1

synonyms
  • Obacunone
  • 751-03-1
  • OBACUNON
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Properties
Property Value
MW 454.5 g/mol
HBD 0
HBA 7
Rotatable Bond Count 1
Exact Mass 454.19915329 g/mol
Monoisotopic Mass 454.19915329 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 985
xlogp 3.2
Topological Polar Surface Area 95.3