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ScientificNameLabel
Cedranol<5-neo->
PHCD compound ID : 4786
Chemical Names :
Cedranol<5-neo->
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CC[C@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O
InChi : InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11-,12-,14-,15+/m1/s1
InChi Key : InChIKey=SVURIXNDRWRAFU-FWZIUSJTSA-N
PubChem ID : 12302605
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.934847
Hydrogen bond donor count : 1 Electric dipole moment : 1.708
XLogP : 5.176 VDW volume : 239.717079
Molecular weight : 222.198365 HOMO-LUMO gap : 12.933000
Herb list :
Refrences & Litretures:
  
766.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'6'      Page:'59'      DOI:''      Title:'Chemical composition of the volatile fraction of Perovskia abrotanoides and Nepeta glomerulosa growing wild in Iran by different extraction methods'
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