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ScientificNameLabel
Adiantoxide
PHCD compound ID : 1758
Chemical Names :
Adiantoxide
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[C@@]2([C@@H]1CC[C@]1([C@H]2CC[C@@H]2[C@@]1(C)O2)C)C)C)C
InChi : InChI=1S/C30H50O/c1-19(2)20-9-10-21-25(20,3)15-17-28(6)23-13-14-29(7)22(11-12-24-30(29,8)31-24)26(23,4)16-18-27(21,28)5/h19-24H,9-18H2,1-8H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30-/m1/s1
InChi Key : InChIKey=HJXZAERDMZCHNE-RUPBOFTISA-N
PubChem ID : 101297696
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.657936
Hydrogen bond donor count : 0 Electric dipole moment : 1.836
XLogP : 12.403 VDW volume : 462.087472
Molecular weight : 426.386166 HOMO-LUMO gap : 12.277000
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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