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ScientificNameLabel
11-Acetoxyeudesman-4-alpha-ol
PHCD compound ID : 4197
Chemical Names :
11-Acetoxyeudesman-4-alpha-ol
Molecular Formula : C17H30O3
Molecular Weight : 282.219495
More Details :
Names & Synonyms: [1-[(2R,4aS,8R)-8-hydroxy-4a,8-dimethyl-decalin-2-yl]-1-methyl-ethyl] acetate , acetic acid 2-[(2R,4aS,8R)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yl ester , 2-[(2R,4aS,8R)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yl acetate , 2-[(2R,4aS,8R)-4a,8-dimethyl-8-oxidanyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yl ethanoate , acetic acid [1-[(2R,4aS,8R)-8-hydroxy-4a,8-dimethyl-decalin-2-yl]-1-methyl-ethyl] ester
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-TXCZRRACSA-N
PubChem ID : 91748910
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.075631
Hydrogen bond donor count : 1 Electric dipole moment : 2.131
XLogP : 4.315 VDW volume : 301.609501
Molecular weight : 282.219495 HOMO-LUMO gap : 11.372000
Herb list :
Refrences & Litretures:
  
600.      Journal:'Industrial Crops and Products'      Year:'2014'      Volume:'54'      Page:'130'      DOI:'10.1016/j.indcrop.2014.01.015'      Title:'Variability in essential oil of Teucrium polium L. of different latitudinal populations'
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