Skip Navigation Links
ScientificNameLabel
Alpha-trans-Bergamotol
PHCD compound ID : 392
Chemical Names :
Alpha-trans-Bergamotol , trans-alpha-Bergamotol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (Z)-5-[(6R)-4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl]-2-methyl-pent-2-en-1-ol , (Z)-5-[(6R)-4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl]-2-methyl-2-penten-1-ol , (Z)-5-[(6R)-4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl]-2-methylpent-2-en-1-ol
Smiles: OC/C(=C\CC[C@]1(C)[C@@H]2CC=C([C@H]1C2)C)/C
InChi : InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-/t13-,14-,15-/m1/s1
InChi Key : InChIKey=JGINTSAQGRHGMG-DCDVMTSPSA-N
PubChem ID : 91747487
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.146170
Hydrogen bond donor count : 1 Electric dipole moment : 2.035
XLogP : 4.223 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.222000
Herb list :
Refrences & Litretures:
  
22.      Journal:'Z Lebensm Unters Forsch A'      Year:'1999'      Volume:'208'      Page:'212'      DOI:''      Title:'Effect of extraction techniques on the chemical composition and antioxidant activity of Eucalyptus camaldulensis var. brevirostris leaf oils'
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
669.      Journal:'American Journal of Essential Oils and Natural Products'      Year:'2014'      Volume:'2'      Page:'8'      DOI:''      Title:'Comparative analysis of essential oils of Citrus aurantifolia Swingle and Citrus reticulata Blanco, from two different localities of Lagos State, Nigeria'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us