Tryptoquivaline
[CAS# 55387-45-6]

Identification

• Name: Tryptoquivaline
• Synonyms: [(1S)-1-[3-[(3'R,3As,4S)-3-Hydroxy-2,2-Dimethyl-1,2'-Dioxo-Spiro[3Ah-Imidazo[1,2-A]Indole-4,5'-Tetrahydrofuran]-3'-Yl]-4-Oxo-Quinazolin-2-Yl]-2-Methyl-Propyl] Acetate; Acetic Acid [(1S)-1-[3-[(3'R,3As,4S)-3-Hydroxy-2,2-Dimethyl-1,2'-Dioxo-3'-Spiro[3Ah-Imidazo[1,2-A]Indole-4,5'-Tetrahydrofuran]Yl]-4-Oxo-2-Quinazolinyl]-2-Methylpropyl] Ester; Acetic Acid [(1S)-1-[3-[(3'R,3As,4S)-3-Hydroxy-1,2'-Diketo-2,2-Dimethyl-Spiro[3Ah-Imidazo[1,2-A]Indole-4,5'-Tetrahydrofuran]-3'-Yl]-4-Keto-Quinazolin-2-Yl]-2-Methyl-Propyl] Ester
• Molecular Formula: C₂₉H₃₀N₄O₇
• Molecular Weight: 546.58
• CAS Registry Number: 55387-45-6
• SMILES: [C@H]13N(C(C(C)(C)N1O)=O)C2=C(C=CC=C2)[C@]36OC(=O)[C@H](N4C(=NC5=C(C4=O)C=CC=C5)[C@@H](OC(=O)C)C(C)C)C6
• InChI: 1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3/t21-,22+,26+,29+/m1/s1
• InChIKey: CYNVLFGDEQQUPE-LDWWEUSWSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 783.124°C at 760 mmHg (Cal.)
• Flash point: 427.418°C (Cal.)