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ScientificNameLabel
Manool oxide
PHCD compound ID : 1804
Chemical Names :
Manool oxide
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms: (3R,4aR,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,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,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-/m1/s1
InChi Key : InChIKey=IGGWKHQYMAJOHK-OMZCVMJRSA-N
PubChem ID : 17037397
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.422855
Hydrogen bond donor count : 0 Electric dipole moment : 1.433
XLogP : 7.007 VDW volume : 323.560543
Molecular weight : 290.260966 HOMO-LUMO gap : 10.665000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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