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ScientificNameLabel
24beta-ethylcholest-4-en-3beta-ol
PHCD compound ID : 2512
Chemical Names :
24beta-ethylcholest-4-en-3beta-ol
Molecular Formula : C29H50O1
Molecular Weight : 414.386166
More Details :
Names & Synonyms:
Smiles: CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C[C@H](CC[C@]12C)O)C
InChi : InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=BBTIMXAYZRWPNG-FBZNIEFRSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.465025
Hydrogen bond donor count : 1 Electric dipole moment : 2.995
XLogP : 11.861 VDW volume : 466.867946
Molecular weight : 414.386166 HOMO-LUMO gap : 10.513000
Herb list :
Refrences & Litretures:
  
289.      Journal:'International Journal of Pharmaceutical Sciences and Drug Research'      Year:'2010'      Volume:'2'      Page:'91'      DOI:''      Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'
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