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Decidua terpenolide A
PHCD compound ID : 5151
Chemical Names :
Decidua terpenolide A
Molecular Formula : C25H38O6
Molecular Weight : 434.266839
More Details :
Names & Synonyms:
Smiles: C/C(=C/[C@H](CC1=C(C)C(=O)C=CC1(C)C)O)/C[C@H]([C@@H]([C@@H]([C@H]1CC[C@@H](C(=O)O1)C)C)O)O
InChi : InChI=1S/C25H38O6/c1-14(11-18(26)13-19-16(3)20(27)9-10-25(19,5)6)12-21(28)23(29)17(4)22-8-7-15(2)24(30)31-22/h9-11,15,17-18,21-23,26,28-29H,7-8,12-13H2,1-6H3/b14-11-/t15-,17+,18+,21+,22+,23+/m0/s1
InChi Key : InChIKey=TYJOTZIPHOLPMU-BHETVASBSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.559988
Hydrogen bond donor count : 3 Electric dipole moment : 9.390
XLogP : 2.274 VDW volume : 455.802224
Molecular weight : 434.266839 HOMO-LUMO gap : 9.185000
Herb list :
Refrences & Litretures:
  
818.      Journal:'International Journal of Phytomedicine'      Year:'2010'      Volume:'2'      Page:'10'      DOI:'10.5138/ijpm.2010.0975.0185.02002'      Title:'Phytochemical and pharmacological Potential of Kair (Capparis Decidua)'
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