Rubreserine
[CAS# 18455-27-1]

Identification

• Name: Rubreserine
• Synonyms: (3Ar,8Bs)-3,4,8B-Trimethyl-2,3A-Dihydro-1H-Pyrrolo[2,3-B]Indole-6,7-Quinone; Pyrrolo(2,3-B)Indole-5,6-Dione, 1,2,3,3A,8,8A-Hexahydro-1,3A,8-Trimethyl-, (3As-Cis)-; Rubreserine
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.28
• CAS Registry Number: 18455-27-1
• SMILES: [C@@H]23N(C1=CC(=O)C(=O)C=C1[C@@]2(CCN3C)C)C
• InChI: 1S/C13H16N2O2/c1-13-4-5-14(2)12(13)15(3)9-7-11(17)10(16)6-8(9)13/h6-7,12H,4-5H2,1-3H3/t12-,13+/m1/s1
• InChIKey: HOQNKCYZDSDWJL-OLZOCXBDSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 359.526°C at 760 mmHg (Cal.)
• Flash point: 157.392°C (Cal.)