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ScientificNameLabel
3-Ketomanoyloxide
PHCD compound ID : 1894
Chemical Names :
3-Ketomanoyloxide
Molecular Formula : C20H32O2
Molecular Weight : 304.24023
More Details :
Names & Synonyms: 3,4a,7,7,10a-pentamethyl-3-vinyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one , 3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f][1]benzopyran-8-one , 3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
Smiles: C=C[C@@]1(C)CC[C@@H]2[C@](O1)(C)CC[C@H]1[C@@]2(C)CCC(=O)C1(C)C
InChi : InChI=1S/C20H32O2/c1-7-18(4)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)22-18/h7,14-15H,1,8-13H2,2-6H3/t14-,15+,18+,19-,20+/m1/s1
InChi Key : InChIKey=JICALWDNUXLSSY-OPTDIUSFSA-N
PubChem ID : 556967
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.594445
Hydrogen bond donor count : 0 Electric dipole moment : 3.147
XLogP : 3.893 VDW volume : 329.714311
Molecular weight : 304.24023 HOMO-LUMO gap : 10.552000
Herb list :
Refrences & Litretures:
  
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
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