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Arteannuic acid
PHCD compound ID : 4491
Chemical Names :
Arteannuic acid
Molecular Formula : C15H22O2
Molecular Weight : 234.16198
More Details :
Names & Synonyms: 2-(4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)prop-2-enoic acid , 2-(4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)-2-propenoic acid , 2-(4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)acrylic acid
Smiles: CC1=C[C@@H]2[C@H](CC1)[C@H](C)CC[C@H]2C(=C)C(=O)O
InChi : InChI=1S/C15H22O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10,12-14H,3-7H2,1-2H3,(H,16,17)/t10-,12-,13+,14-/m1/s1
InChi Key : InChIKey=PLQMEXSCSAIXGB-RUZUBIRVSA-N
PubChem ID : 578305
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.223472
Hydrogen bond donor count : 1 Electric dipole moment : 2.233
XLogP : 4.592 VDW volume : 252.954388
Molecular weight : 234.16198 HOMO-LUMO gap : 9.261000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
660.      Journal:'Journal of Chromatography A'      Year:'2007'      Volume:'1150'      Page:'50'      DOI:'10.1016/j.chroma.2006.08.080'      Title:'Analysis of Artemisia annua L. volatile oil by comprehensive two-dimensional gas chromatography time-of-?ight mass spectrometry'
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