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ScientificNameLabel
trans-(E)-Caryophyllene
PHCD compound ID : 3874
Chemical Names :
trans-(E)-Caryophyllene
Molecular Formula : C15H26
Molecular Weight : 206.203451
More Details :
Names & Synonyms: (7E)-2,6,10,10-tetramethylbicyclo[7.2.0]undec-7-ene
Smiles: C[C@H]1CCC[C@H]([C@H]2[C@@H](C=C1)C(C2)(C)C)C
InChi : InChI=1S/C15H26/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h8-9,11-14H,5-7,10H2,1-4H3/b9-8+/t11-,12+,13-,14+/m0/s1
InChi Key : InChIKey=YMHBTXDOKJSSCA-LHVAWIQJSA-N
PubChem ID : 23623832
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.134409
Hydrogen bond donor count : 0 Electric dipole moment : 0.271
XLogP : 7.403 VDW volume : 240.646852
Molecular weight : 206.203451 HOMO-LUMO gap : 10.447000
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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