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14-Hydroxy-alpha-muurolene isomer
PHCD compound ID : 5445
Chemical Names :
14-Hydroxy-alpha-muurolene isomer
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2-(4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)propan-1-ol , 2-(4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)-1-propanol , 2-(4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)propan-1-ol
Smiles: OC[C@H]([C@@H]1CC=C([C@H]2[C@@H]1C=C(C)CC2)C)C
InChi : InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h5,8,12-16H,4,6-7,9H2,1-3H3/t12-,13+,14+,15+/m1/s1
InChi Key : InChIKey=AHLPWDSDBNEGCL-QPSCCSFWSA-N
PubChem ID : 78409298
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.077183
Hydrogen bond donor count : 1 Electric dipole moment : 2.209
XLogP : 3.921 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.549000
Herb list :
Refrences & Litretures:
  
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
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