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ScientificNameLabel
Alpha-Acorenol
PHCD compound ID : 1074
Chemical Names :
Alpha-Acorenol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol , 2-[(1S,5R)-1,8-dimethyl-4-spiro[4.5]dec-8-enyl]-2-propanol
Smiles: CC1=CC[C@]2(CC1)[C@@H](C)CC[C@@H]2C(O)(C)C
InChi : InChI=1S/C15H26O/c1-11-7-9-15(10-8-11)12(2)5-6-13(15)14(3,4)16/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15-/m0/s1
InChi Key : InChIKey=XDVDHFJMCJWDPI-GUTXKFCHSA-N
PubChem ID : 11972555
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.872140
Hydrogen bond donor count : 1 Electric dipole moment : 2.036
XLogP : 4.789 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.520000
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'
680.      Journal:'BIOLOGIJA'      Year:'2005'      Volume:'4'      Page:'53'      DOI:''      Title:'Chemical composition of essential oil and antimicrobial activity of Origanum vulgare'
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