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ScientificNameLabel
eudesma-3,11-dien-2-one
PHCD compound ID : 482
Chemical Names :
eudesma-3,11-dien-2-one
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms:
Smiles: O=C1C=C(C)[C@H]2[C@@](C1)(C)CC[C@H](C2)C(=C)C
InChi : InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)9-13(16)7-11(3)14(15)8-12/h7,12,14H,1,5-6,8-9H2,2-4H3/t12-,14+,15+/m1/s1
InChi Key : InChIKey=IVZATFCVCDHOLU-SNPRPXQTSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.768074
Hydrogen bond donor count : 0 Electric dipole moment : 4.445
XLogP : 4.053 VDW volume : 244.164161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.791000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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