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ScientificNameLabel
Silphiperfol-7-beta-ol
PHCD compound ID : 5317
Chemical Names :
Silphiperfol-7-beta-ol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (2R,3R,5R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol , (2R,3R,5R,9S)-2,3,5,9-tetramethyl-2-tricyclo[6.3.0.01,5]undecanol , (2R,3R,5R,9S)-2,3,5,9-tetramethyltricyclo[6.3.0.01,5]undecan-2-ol
Smiles: C[C@H]1CC[C@@]23[C@@H]1CC[C@]2(C)C[C@H]([C@@]3(C)O)C
InChi : InChI=1S/C15H26O/c1-10-5-8-15-12(10)6-7-13(15,3)9-11(2)14(15,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,13+,14+,15+/m0/s1
InChi Key : InChIKey=PEXFPFKCJPWRDJ-CMBQYIQPSA-N
PubChem ID : 91747322
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.939729
Hydrogen bond donor count : 1 Electric dipole moment : 1.624
XLogP : 4.754 VDW volume : 239.717079
Molecular weight : 222.198365 HOMO-LUMO gap : 13.039000
Herb list :
Refrences & Litretures:
  
861.      Journal:'Arabian Journal of Chemistry'      Year:'2016'      Volume:'9'      Page:'S1190'      DOI:'10.1016/j.arabjc.2012.01.003'      Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
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