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Sclareol oxide
PHCD compound ID : 4805
Chemical Names :
Sclareol oxide
Molecular Formula : C18H30O1
Molecular Weight : 262.229666
More Details :
Names & Synonyms: (4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene , (4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f][1]benzopyran
Smiles: CC1=CC[C@H]2[C@@](O1)(C)CC[C@@H]1[C@]2(C)CCCC1(C)C
InChi : InChI=1S/C18H30O/c1-13-7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)19-13/h7,14-15H,6,8-12H2,1-5H3/t14-,15+,17-,18+/m0/s1
InChi Key : InChIKey=LAEIZWJAQRGPDA-CIRFHOKZSA-N
PubChem ID : 7057250
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.586907
Hydrogen bond donor count : 0 Electric dipole moment : 0.889
XLogP : 6.646 VDW volume : 288.968574
Molecular weight : 262.229666 HOMO-LUMO gap : 10.175000
Herb list :
Refrences & Litretures:
  
775.      Journal:'J. BioSci. Biotech'      Year:'2013'      Volume:'2'      Page:'39'      DOI:''      Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
776.      Journal:'International Journal of Agriculture and Crop Sciences'      Year:'2013'      Volume:'5'      Page:'828'      DOI:''      Title:'Comparison of Salvia sclarea L. Essential Oil Components in Wild and Field Population'
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