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ScientificNameLabel
Lup-20(29)-EN-28-OL
PHCD compound ID : 1740
Chemical Names :
Lup-20(29)-EN-28-OL
Molecular Formula : C30H50O1
Molecular Weight : 426.386166
More Details :
Names & Synonyms: (1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol , [5a,5b,8,8,11a-pentamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methanol , (5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol
Smiles: OC[C@@]12CC[C@H]([C@H]2[C@@H]2[C@@](CC1)(C)[C@@]1(C)CC[C@H]3[C@@]([C@@H]1CC2)(C)CCCC3(C)C)C(=C)C
InChi : InChI=1S/C30H50O/c1-20(2)21-11-16-30(19-31)18-17-28(6)22(25(21)30)9-10-24-27(5)14-8-13-26(3,4)23(27)12-15-29(24,28)7/h21-25,31H,1,8-19H2,2-7H3/t21-,22+,23+,24-,25-,27+,28-,29-,30+/m0/s1
InChi Key : InChIKey=NVGWEOCSOMJZPE-SGNJOVDPSA-N
PubChem ID : 605587
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.368162
Hydrogen bond donor count : 1 Electric dipole moment : 1.256
XLogP : 12.221 VDW volume : 471.807472
Molecular weight : 426.386166 HOMO-LUMO gap : 10.680000
Herb list :
Refrences & Litretures:
  
195.      Journal:'Int J Pharm Pharm Sci'      Year:'2014'      Volume:'6'      Page:'60'      DOI:''      Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
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