Skip Navigation Links
ScientificNameLabel
16alpha-acetoxy-hyoscyamilactol
PHCD compound ID : 1300
Chemical Names :
16alpha-acetoxy-hyoscyamilactol
Molecular Formula : C30H42O8
Molecular Weight : 530.287968
More Details :
Names & Synonyms:
Smiles: CC(=O)O[C@@H]1C[C@@H]2[C@]([C@H]1[C@@H]([C@H]1O[C@@H](O)[C@@]3([C@@](C1)(C)O3)C)C)(C)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2([C@]1(C)C(=O)C=CC2)O
InChi : InChI=1S/C30H42O8/c1-14(19-13-27(4)29(6,38-27)25(33)36-19)22-18(35-15(2)31)12-17-21-16(9-11-26(17,22)3)28(5)20(32)8-7-10-30(28,34)24-23(21)37-24/h7-8,14,16-19,21-25,33-34H,9-13H2,1-6H3/t14-,16+,17+,18-,19+,21-,22+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1
InChi Key : InChIKey=CFDVWBPMGZMVQC-XEYZXMDGSA-N
PubChem ID : 10530261
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 9.649276
Hydrogen bond donor count : 2 Electric dipole moment : 5.809
XLogP : 2.627 VDW volume : 503.353224
Molecular weight : 530.287968 HOMO-LUMO gap : 9.642000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us