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ScientificNameLabel
24-methylen-cholesterol
PHCD compound ID : 4181
Chemical Names :
24-methylene-cholesterol , 24-methylen-cholesterol , 24-Methylene cholesterol
Molecular Formula : C28H46O1
Molecular Weight : 398.354866
More Details :
Names & Synonyms: (3S,9S,10R,13R,14S,17R)-17-[(1S)-1,5-dimethyl-4-methylene-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9S,10R,13R,14S,17R)-17-[(1S)-4-isopropyl-1-methyl-pent-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles: O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@H](CCC(=C)C(C)C)C)C)C1)C
InChi : InChI=1S/C28H46O/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/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20-,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChi Key : InChIKey=INDVLXYUCBVVKW-QWDJEJJDSA-N
PubChem ID : 53477901
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.211546
Hydrogen bond donor count : 1 Electric dipole moment : 2.299
XLogP : 10.105 VDW volume : 446.935503
Molecular weight : 398.354866 HOMO-LUMO gap : 10.456000
Herb list :
Refrences & Litretures:
  
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'
741.      Journal:'Journal of the American Oil Chemists' Society'      Year:'1998'      Volume:'75'      Page:'51'      DOI:'10.1007/s11746-998-0009-8'      Title:'4-Demethylsterols and Triterpene Alcohols from Two Vanilla Bean Species: Vanilla fragrans and V. tahitensis'
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