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ScientificNameLabel
cis-Pinocarvyl acetate
PHCD compound ID : 3058
Chemical Names :
cis-Pinocarvyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1S,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] acetate , acetic acid [(1R,3R,5S)-6,6-dimethyl-4-methylene-3-bicyclo[3.1.1]heptanyl] ester , [(1R,3R,5S)-6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] acetate , [(1R,3R,5S)-6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] ethanoate , acetic acid [(1S,3R,5R)-6,6-dimethyl-2-methylene-norpinan-3-yl] ester
Smiles: CC(=O)O[C@@H]1C[C@@H]2C[C@H](C1=C)C2(C)C
InChi : InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m0/s1
InChi Key : InChIKey=UDBAGFUFASPUFS-HBNTYKKESA-N
PubChem ID : 102214585
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.803730
Hydrogen bond donor count : 0 Electric dipole moment : 2.244
XLogP : 2.932 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.602000
Herb list :
Refrences & Litretures:
  
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
899.      Journal:'Biochemical Systematics and Ecology'      Year:'2008'      Volume:'36'      Page:'360'      DOI:'10.1016/j.bse.2007.12.003'      Title:'Antimicrobial and insecticidal activities of essential oil isolated from Turkish Salvia hydrangea DC. ex Benth'
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