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Ferna-7,9(11)-diene
PHCD compound ID : 1750
Chemical Names :
Ferna-7,9(11)-diene
Molecular Formula : C30H48
Molecular Weight : 408.375602
More Details :
Names & Synonyms: (3R,3aR,5aS,7aS,11aS,13aS,13bR)-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysene , (3R,3aR,5aS,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,7,7a,9,10,11,13,13b-dodecahydrocyclopenta[a]chrysene
Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC=C2C1=CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C
InChi : InChI=1S/C30H48/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h11,14,20-21,24-25H,9-10,12-13,15-19H2,1-8H3/t21-,24+,25-,27-,28-,29-,30+/m1/s1
InChi Key : InChIKey=PTWDXFXWKUNEOH-CXJLZJCISA-N
PubChem ID : 13857712
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.465755
Hydrogen bond donor count : 0 Electric dipole moment : 0.293
XLogP : 13.426 VDW volume : 460.380787
Molecular weight : 408.375602 HOMO-LUMO gap : 9.093000
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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