Skip Navigation Links
ScientificNameLabel
Fern-9(11)-en-28-ol
PHCD compound ID : 1748
Chemical Names :
Fern-9(11)-en-28-ol
Molecular Formula : C30H50O2
Molecular Weight : 442.381081
More Details :
Names & Synonyms:
Smiles: OC[C@@]12CC[C@]3([C@@]([C@@H]2CC[C@@H]1C(C)C)(C)CC=C1[C@H]3CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C
InChi : InChI=1S/C30H50O2/c1-19(2)20-8-11-24-29(7)15-12-21-22(28(29,6)16-17-30(20,24)18-31)9-10-23-26(3,4)25(32)13-14-27(21,23)5/h12,19-20,22-25,31-32H,8-11,13-18H2,1-7H3/t20-,22-,23+,24+,25-,27-,28-,29+,30+/m1/s1
InChi Key : InChIKey=MXURHXOXOVAUDO-MYRYIHNFSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.170913
Hydrogen bond donor count : 2 Electric dipole moment : 3.346
XLogP : 9.261 VDW volume : 480.597699
Molecular weight : 442.381081 HOMO-LUMO gap : 10.512000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us