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ScientificNameLabel
14-Methylcholest-7-en-3-ol
PHCD compound ID : 1935
Chemical Names :
14-Methylcholest-7-en-3-ol
Molecular Formula : C28H48O1
Molecular Weight : 400.370516
More Details :
Names & Synonyms: (3S,5S,9R,10S,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13,14-trimethyl-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol , (3S,5S,9R,10S,13R,17R)-10,13,14-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Smiles: CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C)C)C
InChi : InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h11,19-24,29H,7-10,12-18H2,1-6H3/t20-,21+,22+,23-,24+,26+,27-,28+/m1/s1
InChi Key : InChIKey=PRISGQUOLDSJKP-CQURCDHJSA-N
PubChem ID : 192799
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.073701
Hydrogen bond donor count : 1 Electric dipole moment : 1.698
XLogP : 11.12 VDW volume : 449.571961
Molecular weight : 400.370516 HOMO-LUMO gap : 10.476000
Herb list :
Refrences & Litretures:
  
230.      Journal:'Adv. Biomed. Eng'      Year:'2012'      Volume:'6'      Page:'61'      DOI:''      Title:'Allelopathic Potential in Different Polarity Phases of Datura Stramonium L'
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