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Home> Hot Product Listed 4   > 4H-Dibenzo[de,g]quinoline-1,9-diol,5,6,6a,7-tetrahydro-2,10-dimethoxy-, (6aS)-
1171892-40-2 structure

4H-Dibenzo[de,g]quinoline-1,9-diol,5,6,6a,7-tetrahydro-2,10-dimethoxy-, (6aS)-

Iupac Name:3-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS No.:1171892-40-2
Molecular Weight:249.117
Molecular Formula:C39H50O19 (isomer)
Names and Identifiers
Synonyms

(+)-Laurelliptine (+)-N-Norisoboldine (+)-Norisoboldine (S)-(+)-Laurelliptine 4H-Dibenzo[de,g]quinoline-1,9-diol,5,6,6a,7-tetrahydro-2,10-dimethoxy-, (S)- 6aa-Noraporphine-1,9-diol, 2,10-dimethoxy- (8CI) Laurelliptine (7CI) Norisoboldine

Inchi
InChI=1S/C13H20BNO3/c1-6-16-11-7-10(8-15-9-11)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChkey
MSTJSRQLRFPSAI-UHFFFAOYSA-N
Canonical Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OCC
Properties
Boiling Point
742.8°Cat760mmHg
Flash Point
295°C
HS Code
2934999090
Safety and Handling
Risk Statements
36
Safety Statements
26
Computational chemical data
  • Molecular Weight:249.117g/mol
  • Molecular Formula:C39H50O19
  • Compound Is Canonicalized:True
  • Exact Mass:249.154
  • Monoisotopic Mass:249.154
  • Complexity:280
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:40.6A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceJyMAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAABgAAoHgAAAAAADEThkgY+hpIIFACg ADBnRASCiCAxYCAA2CAvTJgPJuLEsZuHOCjkwBHY6AYwAAAIgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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