Tr-2 Mycotoxin
[CAS# 51177-07-2]

Identification

• Name: Tr-2 Mycotoxin
• Synonyms: 5H,14H-Pyrrolo(1'',2'':4',5')Pyrazino(1',2':1,6)Pyrido(3,4-B)Indole-5,14-Dione, 1,2,3,5A,6,11,12,14A-Octahydro-5A,6-Dihydroxy-12-(2-Hydroxy-2-Methylpropyl)-9-Methoxy-, (5Ar-(5A-Alpha,6A-Alpha,12-Beta,14A-Alpha))-; Nsc 353637; Tr 2
• Molecular Formula: C₂₂H₂₇N₃O₆
• Molecular Weight: 429.47
• CAS Registry Number: 51177-07-2
• SMILES: [C@]13(N(C(=O)[C@H]2N(C1=O)CCC2)[C@@H](CC(O)(C)C)C5=C([C@@H]3O)C4=CC=C(OC)C=C4[NH]5)O
• InChI: 1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22+/m0/s1
• InChIKey: PIWNJAZCHHBADQ-MECALSEWSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 756.084°C at 760 mmHg (Cal.)
• Flash point: 411.065°C (Cal.)