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ScientificNameLabel
Bisabolene oxide A
PHCD compound ID : 982
Chemical Names :
Alpha-Bisabolone oxide , Bisabolene oxide A , alpha-Bisabolene oxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane , 2-methyl-3-(3-methylbut-2-enyl)-2-(4-methyl-1-cyclohex-3-enyl)oxirane
Smiles: CC(=CC[C@@H]1O[C@@]1(C)[C@H]1CCC(=CC1)C)C
InChi : InChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13-,14+,15+/m1/s1
InChi Key : InChIKey=PBNXUEQZNAEDOI-ILXRZTDVSA-N
PubChem ID : 6429142
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.151613
Hydrogen bond donor count : 0 Electric dipole moment : 2.694
XLogP : 3.862 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.310000
Herb list :
Refrences & Litretures:
  
95.      Journal:'Flavour Fragr. J'      Year:'2006'      Volume:'21'      Page:'274'      DOI:'10.1002/ffj.1582'      Title:'Essential oil composition of Matricaria recutita L. from the lower region of the Himalayas'
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
182.      Journal:'Biochemical Systematics and Ecology'      Year:'2003'      Volume:'31'      Page:'1033'      DOI:'10.1016/S0305-1978(03)00066-8'      Title:'Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania'
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