8-epipuupehedione

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 10042061
Molecular Formula

C21H26O3

SMILES

C[C@]12CCCC([C@@H]1CC[C@@]3(C2=CC4=CC(=O)C(=O)C=C4O3)C)(C)C

InChI

InChI=1S/C21H26O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17H,5-9H2,1-4H3/t17-,20-,21+/m0/s1

synonyms
  • 8-Epipuupehedione
  • 8-epi-Puupehedione
  • (+)-8-epi-Puupehedione
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Properties
Property Value
MW 326.4 g/mol
HBD 0
HBA 3
Rotatable Bond Count 0
Exact Mass 326.18819469 g/mol
Monoisotopic Mass 326.18819469 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 736
xlogp 3.7
Topological Polar Surface Area 43.4