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ScientificNameLabel
Salvialenone
PHCD compound ID : 2781
Chemical Names :
Salvialenone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1S,3aR)-1-isopropyl-3a-methyl-7-methylene-2,3,5,6,8,8a-hexahydro-1H-azulen-4-one , (1S,3aR)-3a-methyl-7-methylene-1-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-azulen-4-one , (1S,3aR)-3a-methyl-7-methylidene-1-propan-2-yl-2,3,5,6,8,8a-hexahydro-1H-azulen-4-one
Smiles: C=C1CCC(=O)[C@]2([C@@H](C1)[C@@H](CC2)C(C)C)C
InChi : InChI=1S/C15H24O/c1-10(2)12-7-8-15(4)13(12)9-11(3)5-6-14(15)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13-,15+/m0/s1
InChi Key : InChIKey=JBOONPKUPONSIB-KCQAQPDRSA-N
PubChem ID : 91747917
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.715098
Hydrogen bond donor count : 0 Electric dipole moment : 2.774
XLogP : 3.896 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.619000
Herb list :
Refrences & Litretures:
  
328.      Journal:'Journal of Agricultural Science and Technology A'      Year:'2012'      Volume:'2'      Page:'392'      DOI:''      Title:'Comparison of Essential Oils in Aerial Parts of Artemisia Sieberi from Kashan Province of Iran'
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