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ScientificNameLabel
trans-Pinocarvyl acetate
PHCD compound ID : 795
Chemical Names :
trans-Pinocarvyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1S,3R,5S)-6,6-dimethyl-2-methylene-norpinan-3-yl] acetate , acetic acid [(1S,3R,5S)-6,6-dimethyl-4-methylene-3-bicyclo[3.1.1]heptanyl] ester , [(1S,3R,5S)-6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] acetate , [(1S,3R,5S)-6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] ethanoate , acetic acid [(1S,3R,5S)-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 : 12858461
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.803602
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:
  
55.      Journal:'Food Chemistry'      Year:'2013'      Volume:'138'      Page:'2180'      DOI:'10.1016/j.foodchem.2012.11.131'      Title:'Chemical composition, antioxidant and antimicrobial activities of essential oil obtained from Ferula assa-foetida oleo-gum-resin: Effect of collection time'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
451.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'397'      DOI:'10.1080/10412905.2004.9698753'      Title:'Essential Oil of Valeriana officinalis L. s.l. Growing Wild in Western Serbia'
494.      Journal:'Journal of Essential Oil Research'      Year:'2005'      Volume:'17'      Page:'565'      DOI:'10.1080/10412905.2005.9698996'      Title:'Chemical Constituents of Essential Oils from Tanacetum balsamita L. ssp. balsamitoides (Schultz-Bip.) Grierson. from Iran'
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