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Epimanoyl oxide
PHCD compound ID : 1910
Chemical Names :
Epimanoyl oxide
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms: (3R,4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene , (3R,4aR,6aS,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f][1]benzopyran , (3R,4aR,6aS,10aS,10bR)-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+/m0/s1
InChi Key : InChIKey=IGGWKHQYMAJOHK-HHUCQEJWSA-N
PubChem ID : 6432025
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.454727
Hydrogen bond donor count : 0 Electric dipole moment : 1.482
XLogP : 7.007 VDW volume : 323.560543
Molecular weight : 290.260966 HOMO-LUMO gap : 10.704000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
677.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2707'      DOI:'10.1002/jsfa.6089'      Title:'Chemical composition and bioactivity of different oregano (Origanum vulgare) extracts and essential oil'
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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