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Arteannuic alcohol(Cis-)
PHCD compound ID : 1071
Chemical Names :
Arteannuic alcohol(Cis-)
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2-[(1R,4S)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-en-1-ol , 2-[(1R,4S)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]-2-propen-1-ol
Smiles: OCC(=C)[C@@H]1CC[C@@H]([C@@H]2[C@H]1C=C(C)CC2)C
InChi : InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8,11,13-16H,3-7,9H2,1-2H3/t11-,13+,14-,15+/m0/s1
InChi Key : InChIKey=CZSSHKCZSDDOAH-PMOUVXMZSA-N
PubChem ID : 6430725
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.255253
Hydrogen bond donor count : 1 Electric dipole moment : 2.522
XLogP : 4.166 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.170000
Herb list :
Refrences & Litretures:
  
110.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'346'      DOI:'10.1080/0972060X.2013.813237'      Title:'Comparison of Essential Oil Composition in Dracocephalum moldavica in Greenhouse and Field'
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