Methyl (2α,5ξ,18β)-3,4-didehydroibogamine-18-carboxylate 2,3-dihydroxysuccinate hydrate (2:1:3)

More details:

• Systematic name

  Methyl (2alpha,5xi,18beta)-3,4-didehydroibogamine-18-carboxylate 2,3-dihydroxysuccinate hydrate (2:1:3)

• SMILES

  CCC1=C[C@H]2C[C@]3(C1N(C2)CCc4c3[nH]c5c4cccc5)C(=O)OC.CCC1=C[C@H]2C[C@]3(C1N(C2)CCc4c3[nH]c5c4cccc5)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.O.O.O

• Std. InChi

  InChI=1S/2C21H24N2O2.C4H6O6.3H2O/c2*1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;5-1(3(7)8)2(6)4(9)10;;;/h2*4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10);3*1H2/t2*13-,19?,21-;;;;/m00..../s1

• Std. InChIKey

  SQTVZTASAISRHW-XFTWISDZSA-N

• Cite this record

  CSID:30650631, http://www.chemspider.com/Chemical-Structure.30650631.html (accessed 00:09, Jul 6, 2024)