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ScientificNameLabel
Nezukol
PHCD compound ID : 1067
Chemical Names :
Nezukol
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms: (4aS,7S,8aR)-1,1,4a,7-tetramethyl-7-vinyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol , (4aS,7S,8aR)-7-ethenyl-1,1,4a,7-tetramethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-8a-ol
Smiles: C=C[C@@]1(C)CC[C@H]2[C@@](C1)(O)CC[C@@H]1[C@]2(C)CCCC1(C)C
InChi : InChI=1S/C20H34O/c1-6-18(4)12-8-16-19(5)11-7-10-17(2,3)15(19)9-13-20(16,21)14-18/h6,15-16,21H,1,7-14H2,2-5H3/t15-,16+,18-,19-,20+/m0/s1
InChi Key : InChIKey=IYDAPILQPCDHTO-HHUCQEJWSA-N
PubChem ID : 91746481
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.748646
Hydrogen bond donor count : 1 Electric dipole moment : 1.356
XLogP : 7.283 VDW volume : 323.560543
Molecular weight : 290.260966 HOMO-LUMO gap : 10.913000
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'
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