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ScientificNameLabel
Caryophylla-4(14).8(15)dien-5alpha-ol
PHCD compound ID : 1445
Chemical Names :
Caryophylla-4(14),8(15)-dien-5alpha-ol , Caryophylla-4(14),8(15)-dien-5-alpha.-ol , Caryophylla-4(14).8(15)dien-5alpha-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S)-6,6-dimethyl-2,9-dimethylene-cycloundecanol , (1S)-6,6-dimethyl-2,9-dimethylene-1-cycloundecanol , (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol , (1S)-6,6-dimethyl-2,9-dimethylidene-cycloundecan-1-ol
Smiles: C=C1CC[C@H](O)C(=C)CCCC(CC1)(C)C
InChi : InChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h14,16H,1-2,5-11H2,3-4H3/t14-/m0/s1
InChi Key : InChIKey=MRNBNSIHBSPJFJ-AWEZNQCLSA-N
PubChem ID : 6429047
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.525269
Hydrogen bond donor count : 1 Electric dipole moment : 1.685
XLogP : 4.525 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.453000
Herb list :
Refrences & Litretures:
  
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
159.      Journal:'CHEMIJA'      Year:'2006'      Volume:'17'      Page:'12'      DOI:''      Title:'Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania'
675.      Journal:'Food Control'      Year:'2004'      Volume:'15'      Page:'549'      DOI:'10.1016/j.foodcont.2003.08.009'      Title:'Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey'
716.      Journal:'Int. J. Electrochem. Sci'      Year:'2011'      Volume:'6'      Page:'691'      DOI:''      Title:'Chemical Composition and Inhibitory Effect of Mentha Spicata Essential Oil on the Corrosion of Steel in Molar Hydrochloric Acid'
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