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Alpha-bisabolone oxide A
PHCD compound ID : 1011
Chemical Names :
Alpha-bisabolone oxide A
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (3R,6S)-2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)tetrahydropyran-3-ol , (3R,6S)-2,2,6-trimethyl-6-(4-methyl-1-cyclohex-3-enyl)-3-oxanol , (3R,6S)-2,2,6-trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol
Smiles: CC1=CC[C@H](CC1)[C@]1(C)CC[C@H](C(O1)(C)C)O
InChi : InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3/t12-,13-,15+/m1/s1
InChi Key : InChIKey=WJHRAVIQWFQMKF-NFAWXSAZSA-N
PubChem ID : 91753434
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.015973
Hydrogen bond donor count : 1 Electric dipole moment : 2.225
XLogP : 3.176 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.565000
Herb list :
Refrences & Litretures:
  
102.      Journal:'J. Agr. Sci. Tech'      Year:'2011'      Volume:'13'      Page:'79'      DOI:''      Title:'Chemical Compositions of Essential Oils of Artemisia dracunculus L. and Endemic Matricaria chamomilla L. and an Evaluation of their Antioxidative Effects'
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
177.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'517'      DOI:'10.1080/10412905.2008.9700076'      Title:'Volatile Constituents of Leaves and Stems of Nasturtium officinale R. Br'
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