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ScientificNameLabel
Cedryl acetate
PHCD compound ID : 1118
Chemical Names :
Cedryl acetate
Molecular Formula : C17H28O2
Molecular Weight : 264.20893
More Details :
Names & Synonyms:
Smiles: CC(=O)O[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@@H]3C
InChi : InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13-,14+,16+,17-/m0/s1
InChi Key : InChIKey=HQKQRXZEXPXXIG-CNUSHZMNSA-N
PubChem ID : 240121
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.192178
Hydrogen bond donor count : 0 Electric dipole moment : 2.035
XLogP : 5.916 VDW volume : 280.462816
Molecular weight : 264.20893 HOMO-LUMO gap : 11.590000
Herb list :
Refrences & Litretures:
  
114.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'207'      DOI:''      Title:'Chemical composition of the essential oils from leaves of Melissa officinalis extracted by hydrodistillation, steam distillation, organic solvent and microwave hydrodistillation'
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
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