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ScientificNameLabel
Filic-3-ene
PHCD compound ID : 1753
Chemical Names :
Filic-3-ene
Molecular Formula : C30H50
Molecular Weight : 410.391252
More Details :
Names & Synonyms: (3R,3aR,5aR,5bS,7aS,11aS,11bS,13aS,13bR)-3-isopropyl-3a,5a,7a,8,11b,13a-hexamethyl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene , (3R,3aR,5aR,5bS,7aS,11aS,11bS,13aS,13bR)-3a,5a,7a,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysene
Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC[C@@]2([C@@H]1CC[C@]1([C@H]2CCC=C1C)C)C)C)C
InChi : InChI=1S/C30H50/c1-20(2)22-12-13-24-27(22,5)16-18-30(8)25-14-15-26(4)21(3)10-9-11-23(26)28(25,6)17-19-29(24,30)7/h10,20,22-25H,9,11-19H2,1-8H3/t22-,23-,24-,25+,26-,27-,28+,29+,30-/m1/s1
InChi Key : InChIKey=KETZXRQFCKBMKO-GAOOKYTESA-N
PubChem ID : 12309888
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.074045
Hydrogen bond donor count : 0 Electric dipole moment : 0.428
XLogP : 14.064 VDW volume : 463.017245
Molecular weight : 410.391252 HOMO-LUMO gap : 10.560000
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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