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ScientificNameLabel
Delta-7-avenasterol
PHCD compound ID : 1525
Chemical Names :
Delta-7-avenasterol
Molecular Formula : C29H48O1
Molecular Weight : 412.370516
More Details :
Names & Synonyms: (3S,9R,10S,13R,14R,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles: C/C=C(\C(C)C)/CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[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/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=MCWVPSBQQXUCTB-OQTIOYDCSA-N
PubChem ID : 12795733
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.094399
Hydrogen bond donor count : 1 Electric dipole moment : 2.126
XLogP : 10.819 VDW volume : 464.231487
Molecular weight : 412.370516 HOMO-LUMO gap : 10.417000
Herb list :
Refrences & Litretures:
  
165.      Journal:'Journal of Chemistry'      Year:'2013'      Volume:''      Page:'126106'      DOI:'10.1155/2013/126106'      Title:'Chemical Composition of Iran’s Pistacia atlantica Cold-Pressed Oil'
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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