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ScientificNameLabel
(Z-beta)-Santalol acetate
PHCD compound ID : 1120
Chemical Names :
(Z-beta)-Santalol acetate
Molecular Formula : C17H26O2
Molecular Weight : 262.19328
More Details :
Names & Synonyms:
Smiles: CC(=O)OC/C(=C\CC[C@]1(C)[C@@H]2CC[C@H](C1=C)C2)/C
InChi : InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6-/t15-,16+,17-/m0/s1
InChi Key : InChIKey=RCFGRZLLBGMERD-BVYDWFGOSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.566389
Hydrogen bond donor count : 0 Electric dipole moment : 4.408
XLogP : 4.81 VDW volume : 287.546357
Molecular weight : 262.19328 HOMO-LUMO gap : 10.476000
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'
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