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ScientificNameLabel
14-hydroxy-9-epi-beta-caryophyllene
PHCD compound ID : 1614
Chemical Names :
14-hydroxy-9-epi-beta-caryophyllene
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: [(1R,4Z,9R)-4,11-dimethyl-8-methylene-11-bicyclo[7.2.0]undec-4-enyl]methanol , [(1R,4Z,9R)-4,11-dimethyl-8-methylidene-11-bicyclo[7.2.0]undec-4-enyl]methanol
Smiles: OC[C@]1(C)C[C@@H]2[C@H]1CCC(=CCCC2=C)C
InChi : InChI=1S/C15H24O/c1-11-5-4-6-12(2)13-9-15(3,10-16)14(13)8-7-11/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15-/m0/s1
InChi Key : InChIKey=DFMBJBXEHZSTJQ-UGJHJVKRSA-N
PubChem ID : 91747230
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.059350
Hydrogen bond donor count : 1 Electric dipole moment : 1.641
XLogP : 3.857 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.332000
Herb list :
Refrences & Litretures:
  
180.      Journal:'Journal of Essential Oil Research'      Year:'1999'      Volume:'11'      Page:'306'      DOI:'10.1080/10412905.1999.9701140'      Title:'Aromatic Plants of Yugoslavia. I. Chemical Composition of Oils of Achillea millefolium L. ssp. pannonica (Scheele) Hayak, A. crithmifolia W. et K., A. serbica Nym. and A. tanacetifolia All'
182.      Journal:'Biochemical Systematics and Ecology'      Year:'2003'      Volume:'31'      Page:'1033'      DOI:'10.1016/S0305-1978(03)00066-8'      Title:'Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania'
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