Skip Navigation Links
ScientificNameLabel
Beta-Costol
PHCD compound ID : 5212
Chemical Names :
Beta-Costol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2-(4a-methyl-8-methylene-decalin-2-yl)prop-2-en-1-ol , 2-(4a-methyl-8-methylene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)-2-propen-1-ol , 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol , 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-en-1-ol
Smiles: OCC(=C)[C@@H]1CC[C@]2([C@@H](C1)C(=C)CCC2)C
InChi : InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h13-14,16H,1-2,4-10H2,3H3/t13-,14+,15+/m1/s1
InChi Key : InChIKey=FKWGZOFNSIESOX-ILXRZTDVSA-N
PubChem ID : 12304104
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.594856
Hydrogen bond donor count : 1 Electric dipole moment : 2.127
XLogP : 4.309 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.363000
Herb list :
Refrences & Litretures:
  
824.      Journal:'Macedonian pharmaceutical bulletin'      Year:'2014'      Volume:'60'      Page:'45'      DOI:''      Title:'Chemical composition of Chenopodium botrys L. (Chenopodiaceae) essential oil'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us