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ScientificNameLabel
oplopanone
PHCD compound ID : 5225
Chemical Names :
oplopanone
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: 1-[(1S,3aR,4R,7S,7aS)-4-hydroxy-7-isopropyl-4-methyl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone , 1-[(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone , 1-[(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone , 1-[(1S,3aR,4R,7S,7aS)-4-methyl-4-oxidanyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
Smiles: CC([C@@H]1CC[C@@]([C@H]2[C@H]1[C@H](CC2)C(=O)C)(C)O)C
InChi : InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4,17)13-6-5-12(10(3)16)14(11)13/h9,11-14,17H,5-8H2,1-4H3/t11-,12+,13+,14+,15+/m0/s1
InChi Key : InChIKey=WLXJHVQYKOJBBN-NJVJYBDUSA-N
PubChem ID : 10466745
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.976292
Hydrogen bond donor count : 1 Electric dipole moment : 3.723
XLogP : 3.26 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.859000
Herb list :
Refrences & Litretures:
  
827.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'193'      DOI:'10.1080/10412905.2003.9712110'      Title:'Chemical Composition of the Essential Oils of Chenopodium botrys L. from Two Different Locations in Iran'
972.      Journal:'Journal of Medicinal Plants Research'      Year:'2011'      Volume:'5'      Page:'6770'      DOI:'10.5897/JMPR11.1098'      Title:'Antibacterial and antimutagenic activity of extracts aboveground parts of three Solidago species: Solidago virgaurea L., Solidago canadensis L. and Solidago gigantea Ait'
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