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4beta,5alpha-Epoxygermacra-1(10),11(13)-dien-12,8alpha-olide
PHCD compound ID : 3049
Chemical Names :
4beta,5alpha-Epoxygermacra-1(10),11(13)-dien-12,8alpha-olide
Molecular Formula : C15H20O3
Molecular Weight : 248.141245
More Details :
Names & Synonyms:
Smiles: CC1=CCC[C@@]2(C)O[C@H]2C[C@@H]2[C@@H](C1)OC(=O)C2=C
InChi : InChI=1S/C15H20O3/c1-9-5-4-6-15(3)13(18-15)8-11-10(2)14(16)17-12(11)7-9/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12+,13-,15+/m0/s1
InChi Key : InChIKey=RYQABBMOWVCVPW-SRJGHQRSSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.732294
Hydrogen bond donor count : 0 Electric dipole moment : 4.118
XLogP : 2.027 VDW volume : 249.388156
Molecular weight : 248.141245 HOMO-LUMO gap : 9.425000
Herb list :
Refrences & Litretures:
  
387.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2006'      Volume:'3'      Page:'371'      DOI:'10.1002/cbdv.200690041'      Title:'Chemical Constituents of Plants from the Genus Inula'
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