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Clerosterol
PHCD compound ID : 2966
Chemical Names :
Chlerosterol , Clerosterol
Molecular Formula : C29H48O1
Molecular Weight : 412.370516
More Details :
Names & Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-5-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
InChi : InChI=1S/C29H48O/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/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=GHGKPLPBPGYSOO-FBZNIEFRSA-N
PubChem ID : 5283638
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.198525
Hydrogen bond donor count : 1 Electric dipole moment : 2.653
XLogP : 10.779 VDW volume : 464.231487
Molecular weight : 412.370516 HOMO-LUMO gap : 10.490000
Herb list :
Refrences & Litretures:
  
376.      Journal:'INTERNATIONAL JOURNAL OF NUTRITION'      Year:'2016'      Volume:'1'      Page:'8'      DOI:'10.14302/issn.2379-7835.ijn-14-478'      Title:'Physicochemical and fatty acids composition of Barberry integerrima seed'
436.      Journal:'Chemistry of Natural Compounds'      Year:'2013'      Volume:'49'      Page:'803'      DOI:'10.1007/s10600-013-0752-4'      Title:'INTRODUCING Pistacia khinjuk (KOLKHOUNG) FRUIT HULL OIL AS A VEGETABLE OIL WITH SPECIAL CHEMICAL COMPOSITION AND UNIQUE OXIDATIVE STABILITY'
551.      Journal:'Food Chemistry'      Year:'2009'      Volume:'113'      Page:'919'      DOI:'10.1016/j.foodchem.2008.08.019'      Title:'Lipid characteristics and essential minerals of native Turkish hazelnut varieties (Corylus avellana L.)'
584.      Journal:'Journal of Food and Nutrition Research'      Year:'2016'      Volume:'4'      Page:'334'      DOI:'10.12691/jfnr-4-5-10'      Title:'Chemical Composition and Characteristics of Linum usitatissimum L. from Tunisia'
586.      Journal:'Lipids in Health and Disease'      Year:'2016'      Volume:'15'      Page:'73'      DOI:'10.1186/s12944-016-0237-0'      Title:'Oil from pumpkin (Cucurbita pepo L.) seeds: evaluation of its functional properties on wound healing in rats'
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