7alpha-hydroxyfrullanolide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 1
PubChem 11983230
Molecular Formula

C15H20O3

SMILES

CC1=C2[C@H]3[C@@](CC[C@]2(CCC1)C)(C(=C)C(=O)O3)O

InChI

InChI=1S/C15H20O3/c1-9-5-4-6-14(3)7-8-15(17)10(2)13(16)18-12(15)11(9)14/h12,17H,2,4-8H2,1,3H3/t12-,14+,15+/m0/s1

synonyms
  • 7alpha-Hydroxyfrullanolide
  • 105578-87-8
  • 7a-Hydroxyfrullanolide
Click to show/hide the synonyms
Properties
Property Value
MW 248.32 g/mol
HBD 1
HBA 3
Rotatable Bond Count 0
Exact Mass 248.14124450 g/mol
Monoisotopic Mass 248.14124450 g/mol
Heavy Atom Count 18
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 476
xlogp 1.8
Topological Polar Surface Area 46.5