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ScientificNameLabel
bisabolene-11-ol
PHCD compound ID : 5398
Chemical Names :
bisabolene-11-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol , (Z)-2-methyl-6-(4-methyl-1-cyclohex-3-enyl)-5-hepten-2-ol , (Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
Smiles: CC1=CC[C@H](CC1)/C(=C\CCC(O)(C)C)/C
InChi : InChI=1S/C15H26O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h6-7,14,16H,5,8-11H2,1-4H3/b13-6-/t14-/m1/s1
InChi Key : InChIKey=AXLLSNSRONSXGV-CNTYAEFGSA-N
PubChem ID : 91750291
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.103051
Hydrogen bond donor count : 1 Electric dipole moment : 2.333
XLogP : 4.398 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.429000
Herb list :
Refrences & Litretures:
  
889.      Journal:'Pharmacologyonline'      Year:'2018'      Volume:'1'      Page:'231'      DOI:''      Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
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