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ScientificNameLabel
(E)-Myrtanol
PHCD compound ID : 5371
Chemical Names :
(E)-Myrtanol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: [(1R,2R,5R)-6,6-dimethylnorpinan-2-yl]methanol , [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol , [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
Smiles: OC[C@@H]1CC[C@@H]2C[C@H]1C2(C)C
InChi : InChI=1S/C10H18O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9,11H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
InChi Key : InChIKey=LDWAIHWGMRVEFR-DJLDLDEBSA-N
PubChem ID : 84880
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.104942
Hydrogen bond donor count : 1 Electric dipole moment : 1.981
XLogP : 3.167 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 13.026000
Herb list :
Refrences & Litretures:
  
884.      Journal:'Fitoterapia'      Year:'2003'      Volume:'74'      Page:'170'      DOI:'10.1016/S0367-326X(02)00318-0'      Title:'Chemical composition and antifungal properties of essential oils of three Pistacia species'
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