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ScientificNameLabel
Hyoscyamilactol
PHCD compound ID : 1299
Chemical Names :
Hyoscyamilactol
Molecular Formula : C28H40O6
Molecular Weight : 472.282489
More Details :
Names & Synonyms:
Smiles: C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O)[C@H]1O[C@@H](O)[C@@]2([C@@](C1)(C)O2)C
InChi : InChI=1S/C28H40O6/c1-14(18-13-25(3)27(5,34-25)23(30)32-18)15-8-9-16-20-17(10-12-24(15,16)2)26(4)19(29)7-6-11-28(26,31)22-21(20)33-22/h6-7,14-18,20-23,30-31H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m0/s1
InChi Key : InChIKey=WYDFSSCXUGNICP-ABWLQAJSSA-N
PubChem ID : 100942617
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.577564
Hydrogen bond donor count : 2 Electric dipole moment : 7.433
XLogP : 3.55 VDW volume : 453.81726
Molecular weight : 472.282489 HOMO-LUMO gap : 9.634000
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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