Skip Navigation Links
ScientificNameLabel
Bisabolen-12-ol-beta
PHCD compound ID : 354
Chemical Names :
Bisabolen-12-ol-beta
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (2Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,6-dien-1-ol , (2Z)-2-methyl-6-(4-methyl-1-cyclohex-3-enyl)-1-hepta-2,6-dienol
Smiles: OC/C(=C\CCC(=C)[C@H]1CCC(=CC1)C)/C
InChi : InChI=1S/C15H24O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,15-16H,3-4,6,8-11H2,1-2H3/b13-5-/t15-/m1/s1
InChi Key : InChIKey=HBVOEGGRCJCMLG-KSKAUBAUSA-N
PubChem ID : 5352901
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.223204
Hydrogen bond donor count : 1 Electric dipole moment : 1.381
XLogP : 3.67 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.124000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us