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Costunolide
PHCD compound ID : 3926
Chemical Names :
Costunolide
Molecular Formula : C15H20O2
Molecular Weight : 232.14633
More Details :
Names & Synonyms: (3aS,6E,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one , (3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Smiles: CC1=C[C@H]2OC(=O)C(=C)[C@@H]2CCC(=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/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
InChi Key : InChIKey=HRYLQFBHBWLLLL-AHNJNIBGSA-N
PubChem ID : 5281437
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.403560
Hydrogen bond donor count : 0 Electric dipole moment : 6.139
XLogP : 3.308 VDW volume : 250.317929
Molecular weight : 232.14633 HOMO-LUMO gap : 9.307000
Herb list :
Refrences & Litretures:
  
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
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