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Bisabolol oxide B
PHCD compound ID : 985
Chemical Names :
Bisabolol oxide B
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: 2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)tetrahydrofuran-2-yl]propan-2-ol , 2-[5-methyl-5-(4-methyl-1-cyclohex-3-enyl)-2-oxolanyl]-2-propanol , 2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-2-ol
Smiles: CC1=CC[C@H](CC1)[C@@]1(C)CC[C@@H](O1)C(O)(C)C
InChi : InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(17-15)14(2,3)16/h5,12-13,16H,6-10H2,1-4H3/t12-,13-,15-/m1/s1
InChi Key : InChIKey=RKBAYVATPNYHLW-UMVBOHGHSA-N
PubChem ID : 117301
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.065250
Hydrogen bond donor count : 1 Electric dipole moment : 1.389
XLogP : 3.176 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.584000
Herb list :
Refrences & Litretures:
  
96.      Journal:'Industrial Crops and Products'      Year:'2011'      Volume:'34'      Page:'1482'      DOI:'10.1016/j.indcrop.2011.05.005'      Title:'Sesquiterpenic composition of the in?orescences of Brazilian chamomile (Matricaria recutita L.): Impact of the agricultural practices'
932.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'91'      DOI:'10.1007/s10600-009-9244-y'      Title:'Composition of essential oils of Viola tricolor and V. arvensis from Romania'
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