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ScientificNameLabel
epi-Cyclocolorenone
PHCD compound ID : 3878
Chemical Names :
epi-Cyclocolorenone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (1aS,4S,4aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,7b-hexahydro-1aH-cyclopropa[e]azulen-6-one , (1aS,4S,4aS,7bR)-1,1,4,7-tetramethyl-2,3,4,4a,5,7b-hexahydro-1aH-cycloprop[e]azulen-6-one
Smiles: C[C@H]1CC[C@H]2[C@@H](C3=C(C(=O)C[C@@H]13)C)C2(C)C
InChi : InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10-,11-,14-/m0/s1
InChi Key : InChIKey=ZEEUIOBUKGZKPS-AEHQLWAISA-N
PubChem ID : 21589268
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.325469
Hydrogen bond donor count : 0 Electric dipole moment : 4.386
XLogP : 3.971 VDW volume : 234.444161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.470000
Herb list :
Refrences & Litretures:
  
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
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