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Alkaloid D
PHCD compound ID : 1966
Chemical Names :
Alkaloid D
Molecular Formula : C18H21N1O5
Molecular Weight : 331.141973
More Details :
Names & Synonyms:
Smiles: CO[C@@]12O[C@H]3CN4[C@@](C1)([C@@H]([C@@H]2O)c1c3cc2c(c1)OCO2)CCC4
InChi : InChI=1S/C18H21NO5/c1-21-18-8-17-3-2-4-19(17)7-14(24-18)10-5-12-13(23-9-22-12)6-11(10)15(17)16(18)20/h5-6,14-16,20H,2-4,7-9H2,1H3/t14-,15+,16-,17-,18+/m0/s1
InChi Key : InChIKey=KYTDBKDWDOVRLJ-FLXSYLCISA-N
PubChem ID : 424504
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.555982
Hydrogen bond donor count : 1 Electric dipole moment : 4.392
XLogP : 0.294 VDW volume : 281.883947
Molecular weight : 331.141973 HOMO-LUMO gap : 8.640000
Herb list :
Refrences & Litretures:
  
232.      Journal:'Zeitschrift fur Naturforschung C'      Year:'2003'      Volume:'58'      Page:'42'      DOI:''      Title:'Alkaloid Spectrum in Diploid and Tetraploid Hairy Root Cultures of Datura stramonium'
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