Jolkinol D

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 71719801
Molecular Formula

C22H32O4

SMILES

C[C@H]1C[C@]2([C@H]([C@H]1O)/C=C(/CC[C@H]3[C@H](C3(C)C)/C=C(/C2=O)\C)\C)OC(=O)C

InChI

InChI=1S/C22H32O4/c1-12-7-8-16-17(21(16,5)6)10-13(2)20(25)22(26-15(4)23)11-14(3)19(24)18(22)9-12/h9-10,14,16-19,24H,7-8,11H2,1-6H3/b12-9+,13-10+/t14-,16-,17+,18-,19-,22+/m0/s1

synonyms
  • Jolkinol D
  • ((1R,3E,5R,7S,10E,12S,13S,14S)-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-1-tricyclo(10.3.0.05,7)pentadeca-3,10-dienyl) acetate
  • [(1R,3E,5R,7S,10E,12S,13S,14S)-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-1-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] acetate
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Properties
Property Value
MW 360.5 g/mol
HBD 1
HBA 4
Rotatable Bond Count 2
Exact Mass 360.23005950 g/mol
Monoisotopic Mass 360.23005950 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 686
xlogp 3.7
Topological Polar Surface Area 63.6