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ScientificNameLabel
Fern-9(11)-en-3a -ol
PHCD compound ID : 1744
Chemical Names :
Fern-9(11)-en-3a -ol
Molecular Formula : C30H50O1
Molecular Weight : 426.386166
More Details :
Names & Synonyms:
Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC=C2[C@H]1CC[C@@H]1[C@]2(C)CC[C@H](C1(C)C)O)C)C
InChi : InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3/t20-,22-,23+,24-,25-,27-,28-,29-,30+/m1/s1
InChi Key : InChIKey=VWYANPOOORUCFJ-LTNDJFBVSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.111801
Hydrogen bond donor count : 1 Electric dipole moment : 2.363
XLogP : 11.448 VDW volume : 471.807472
Molecular weight : 426.386166 HOMO-LUMO gap : 10.514000
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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