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ScientificNameLabel
Manoyl oxide
PHCD compound ID : 1063
Chemical Names :
Manoyl oxide
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms: (3R,4aR,10aS)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene , (3R,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran , (3R,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
Smiles: C=C[C@@]1(C)CC[C@H]2[C@@](O1)(C)CC[C@H]1[C@]2(C)CCCC1(C)C
InChi : InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16-,18+,19+,20-/m1/s1
InChi Key : InChIKey=IGGWKHQYMAJOHK-OMZCVMJRSA-N
PubChem ID : 10085645
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.422741
Hydrogen bond donor count : 0 Electric dipole moment : 1.435
XLogP : 7.007 VDW volume : 323.560543
Molecular weight : 290.260966 HOMO-LUMO gap : 10.666000
Herb list :
Refrences & Litretures:
  
109.      Journal:'AGRICULTURAL COMMUNICATIONS'      Year:'2014'      Volume:'2'      Page:'42'      DOI:''      Title:'Effect of Different Salinity Levels on Essential Oil Content and Composition of Dracocephalum moldavica'
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)'
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
852.      Journal:'Flavour Fragr. J'      Year:'2005'      Volume:'20'      Page:'542'      DOI:'10.1002/ffj.1468'      Title:'Composition of the essential oil of Salvia macrosiphon Boiss. from Iran'
853.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2005'      Volume:'8'      Page:'126'      DOI:'10.1080/0972060X.2005.10643431'      Title:'Essential oil Composition of Salvia macrosiphon Boiss. From Iran'
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