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ScientificNameLabel
campestanol
PHCD compound ID : 724
Chemical Names :
campestanol
Molecular Formula : C28H50O1
Molecular Weight : 402.386166
More Details :
Names & Synonyms: (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R,4R)-1,4,5-trimethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-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: O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CC[C@H](C(C)C)C)C)C)C
InChi : InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
InChi Key : InChIKey=ARYTXMNEANMLMU-ATEDBJNTSA-N
PubChem ID : 119394
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.961337
Hydrogen bond donor count : 1 Electric dipole moment : 2.313
XLogP : 12.291 VDW volume : 452.20842
Molecular weight : 402.386166 HOMO-LUMO gap : 12.922000
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'
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'
817.      Journal:'Int. J. Mol. Sci'      Year:'2011'      Volume:'12'      Page:'8846'      DOI:'10.3390/ijms12128846'      Title:'Compositional Studies: Antioxidant and Antidiabetic Activities of Capparis decidua (Forsk.) Edgew'
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