Skip Navigation Links
ScientificNameLabel
isobauerenol
PHCD compound ID : 1706
Chemical Names :
isobauerenol
Molecular Formula : C30H50O1
Molecular Weight : 426.386166
More Details :
Names & Synonyms: (3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,13,14-tetradecahydro-1H-picen-3-ol
Smiles: C[C@@H]1CC[C@]2([C@@H]([C@H]1C)[C@]1(C)CCC3=C([C@]1(CC2)C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
InChi : InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h19-20,23-25,31H,9-18H2,1-8H3/t19-,20+,23+,24+,25-,27-,28-,29-,30+/m1/s1
InChi Key : InChIKey=FOAKGLWNANRWRP-BYFNOGOSSA-N
PubChem ID : 3084367
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.742321
Hydrogen bond donor count : 1 Electric dipole moment : 2.094
XLogP : 10.703 VDW volume : 471.807472
Molecular weight : 426.386166 HOMO-LUMO gap : 10.251000
Herb list :
Refrences & Litretures:
  
193.      Journal:'Journal of Chinese Pharmaceutical Sciences'      Year:'2007'      Volume:'16'      Page:'288'      DOI:'1003–1057(2007)4–288–06'      Title:'Chemical constituents of the flower buds of Tussilago farfara'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us