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ScientificNameLabel
Kessoglycyl monoacetate
PHCD compound ID : 3343
Chemical Names :
Kessoglycyl monoacetate
Molecular Formula : C17H28O4
Molecular Weight : 296.198759
More Details :
Names & Synonyms:
Smiles: CC(=O)O[C@@H]1C[C@H]([C@@H]2[C@H]1[C@@]1(C)C[C@H]([C@@H](C2)C(O1)(C)C)O)C
InChi : InChI=1S/C17H28O4/c1-9-6-14(20-10(2)18)15-11(9)7-12-13(19)8-17(15,5)21-16(12,3)4/h9,11-15,19H,6-8H2,1-5H3/t9-,11-,12-,13-,14-,15-,17-/m1/s1
InChi Key : InChIKey=KSJYGLBFXLTFDO-PLPMHZTRSA-N
PubChem ID : 91747311
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.586298
Hydrogen bond donor count : 1 Electric dipole moment : 3.271
XLogP : 2.753 VDW volume : 298.043269
Molecular weight : 296.198759 HOMO-LUMO gap : 10.956000
Herb list :
Refrences & Litretures:
  
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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