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ScientificNameLabel
4alpha-Acetoxy-eudesman-11-ol
PHCD compound ID : 5214
Chemical Names :
4alpha-Acetoxy-eudesman-11-ol
Molecular Formula : C17H30O3
Molecular Weight : 282.219495
More Details :
Names & Synonyms:
Smiles: CC(=O)OC([C@@H]1CC[C@@]2([C@@H](C1)[C@](C)(O)CCC2)C)(C)C
InChi : InChI=1S/C17H30O3/c1-12(18)20-15(2,3)13-7-10-16(4)8-6-9-17(5,19)14(16)11-13/h13-14,19H,6-11H2,1-5H3/t13-,14-,16-,17-/m1/s1
InChi Key : InChIKey=YJUFRKRDRWIRBO-MUIFIZLQSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.967904
Hydrogen bond donor count : 1 Electric dipole moment : 3.071
XLogP : 4.315 VDW volume : 301.609501
Molecular weight : 282.219495 HOMO-LUMO gap : 11.351000
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'
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