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Isocostunolide
PHCD compound ID : 3050
Chemical Names :
Isocostunolide
Molecular Formula : C15H20O2
Molecular Weight : 232.14633
More Details :
Names & Synonyms: (3aR,5Z,10Z,11aR)-6,10-dimethyl-3-methylene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one , (3aR,5Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Smiles: CC1=C[C@H]2OC(=O)C(=C)[C@H]2CC=C(CCC1)C
InChi : InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h7,9,13-14H,3-6,8H2,1-2H3/b10-7-,11-9-/t13-,14-/m1/s1
InChi Key : InChIKey=YASQWKKSUDWLGB-RYCQOOPESA-N
PubChem ID : 101006689
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.576571
Hydrogen bond donor count : 0 Electric dipole moment : 6.152
XLogP : 3.308 VDW volume : 250.317929
Molecular weight : 232.14633 HOMO-LUMO gap : 9.486000
Herb list :
Refrences & Litretures:
  
388.      Journal:'Journal of Ethnopharmacology'      Year:'2014'      Volume:'154'      Page:'286'      DOI:'10.1016/j.jep.2014.04.010'      Title:'The genus Inula and theirmetabolites:Fromethnopharmacological tomedicinaluses'
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