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ScientificNameLabel
Daturalactone
PHCD compound ID : 1301
Chemical Names :
Daturalactone
Molecular Formula : C28H38O7
Molecular Weight : 486.261754
More Details :
Names & Synonyms:
Smiles: C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O)[C@@H]1OC(=O)[C@@]2([C@@](C1)(C)O2)C
InChi : InChI=1S/C28H38O7/c1-13(17-12-24(2)27(5,35-24)23(31)33-17)14-8-9-15-20-16(11-19(30)25(14,15)3)26(4)18(29)7-6-10-28(26,32)22-21(20)34-22/h6-7,13-17,19-22,30,32H,8-12H2,1-5H3/t13-,14+,15-,16-,17+,19-,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1
InChi Key : InChIKey=UZLXIIADBIXQHY-JNUSPZCGSA-N
PubChem ID : 323594
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.912366
Hydrogen bond donor count : 2 Electric dipole moment : 7.582
XLogP : 1.863 VDW volume : 459.971028
Molecular weight : 486.261754 HOMO-LUMO gap : 9.356000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
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