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ScientificNameLabel
Fern-9(11)-en-12-one
PHCD compound ID : 1759
Chemical Names :
Fern-9(11)-en-12-one
Molecular Formula : C30H48O1
Molecular Weight : 424.370516
More Details :
Names & Synonyms:
Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)C(=O)C=C2[C@H]1CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C
InChi : InChI=1S/C30H48O/c1-19(2)20-10-13-24-28(20,6)16-17-29(7)21-11-12-23-26(3,4)14-9-15-27(23,5)22(21)18-25(31)30(24,29)8/h18-21,23-24H,9-17H2,1-8H3/t20-,21-,23+,24-,27-,28-,29-,30-/m1/s1
InChi Key : InChIKey=ZLHFFPYMVLDFQL-JZWNVHBBSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.226087
Hydrogen bond donor count : 0 Electric dipole moment : 4.486
XLogP : 11.243 VDW volume : 469.171013
Molecular weight : 424.370516 HOMO-LUMO gap : 9.521000
Herb list :
Refrences & Litretures:
  
196.      Journal:'Chem. Pharm. Bull'      Year:'1999'      Volume:'47'      Page:'543'      DOI:''      Title:'Fern Constituents: Six New Triterpenoid Alcohols from Adiantum capillus-veneris'
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