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ScientificNameLabel
sitostanol
PHCD compound ID : 725
Chemical Names :
sitostanol
Molecular Formula : C29H52O1
Molecular Weight : 416.401816
More Details :
Names & Synonyms: (3S,8R,9S,10S,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-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[C@H]2[C@]1(C)CC[C@@H](C2)O)C
InChi : InChI=1S/C29H52O/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/h19-27,30H,7-18H2,1-6H3/t20-,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=LGJMUZUPVCAVPU-LYTJBBRRSA-N
PubChem ID : 15559396
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.913473
Hydrogen bond donor count : 1 Electric dipole moment : 2.327
XLogP : 12.86 VDW volume : 469.504405
Molecular weight : 416.401816 HOMO-LUMO gap : 13.152000
Herb list :
Refrences & Litretures:
  
47.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'4802'      DOI:'10.1021/jf049772v'      Title:'Spelt (Triticum spelta L.) and Winter Wheat (Triticum aestivum L.) Wholemeals Have Similar Sterol Profiles, As Determined by Quantitative Liquid Chromatography and Mass Spectrometry Analysis'
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'
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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