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ScientificNameLabel
Ergosterin
PHCD compound ID : 1936
Chemical Names :
Ergosterin , Tau-Ergosterol
Molecular Formula : C28H44O1
Molecular Weight : 396.339216
More Details :
Names & Synonyms: (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles: O[C@H]1CC[C@]2(C(=CC=C3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C1)C
InChi : InChI=1S/C28H44O/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/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1
InChi Key : InChIKey=DNVPQKQSNYMLRS-APGDWVJJSA-N
PubChem ID : 444679
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.379070
Hydrogen bond donor count : 1 Electric dipole moment : 2.766
XLogP : 9.499 VDW volume : 444.299044
Molecular weight : 396.339216 HOMO-LUMO gap : 8.922000
Herb list :
Refrences & Litretures:
  
230.      Journal:'Adv. Biomed. Eng'      Year:'2012'      Volume:'6'      Page:'61'      DOI:''      Title:'Allelopathic Potential in Different Polarity Phases of Datura Stramonium L'
303.      Journal:'Chemistry of Natural Compounds'      Year:'2013'      Volume:'49'      Page:'557'      DOI:''      Title:'CHEMICAL COMPOSITION OF MACERATED PLANT PARTS OF WHITE MUSTARD Sinapis alba'
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