Gambirine
[CAS# 29472-77-3]

Identification

• Name: Gambirine
• Synonyms: Methyl (E)-2-[(2S,3R,12Bs)-3-Ethyl-8-Hydroxy-1,2,3,4,6,7,12,12B-Octahydroindolo[3,2-H]Quinolizin-2-Yl]-3-Methoxy-Prop-2-Enoate; (E)-2-[(2S,3R,12Bs)-3-Ethyl-8-Hydroxy-1,2,3,4,6,7,12,12B-Octahydroindolo[3,2-H]Quinolizin-2-Yl]-3-Methoxyprop-2-Enoic Acid Methyl Ester; (E)-2-[(2S,3R,12Bs)-3-Ethyl-8-Hydroxy-1,2,3,4,6,7,12,12B-Octahydropyrido[2,1-A]$B-Carbolin-2-Yl]-3-Methoxy-Acrylic Acid Methyl Ester
• Molecular Formula: C₂₂H₂₈N₂O₄
• Molecular Weight: 384.47
• CAS Registry Number: 29472-77-3
• SMILES: [C@H]34C2=C(C1=C(O)C=CC=C1[NH]2)CCN3C[C@@H]([C@@H](\C(C(=O)OC)=C/OC)C4)CC
• InChI: 1S/C22H28N2O4/c1-4-13-11-24-9-8-14-20-17(6-5-7-19(20)25)23-21(14)18(24)10-15(13)16(12-27-2)22(26)28-3/h5-7,12-13,15,18,23,25H,4,8-11H2,1-3H3/b16-12+/t13-,15-,18-/m0/s1
• InChIKey: IIRZCWUQUBSIPF-ZZTFNPIZSA-N

Properties

• Density: 1.275g/cm³ (Cal.)
• Boiling point: 576.098°C at 760 mmHg (Cal.)
• Flash point: 302.213°C (Cal.)

References

• (1): Merlini L. Gambirine, a new indole alkaloid from ? ? roxb., Tetrahedron Letters, 1967