(3aS,8bS)-6-Bromo-3-Methyl-8b-(3-Methylbut-2-Enyl)-1,2,3a,4-Tetrahydropyrrolo[2,3-b]Indole
[CAS# 158642-05-8]

Identification

• Name: (3aS,8bS)-6-Bromo-3-Methyl-8b-(3-Methylbut-2-Enyl)-1,2,3a,4-Tetrahydropyrrolo[2,3-b]Indole
• Synonyms: 3A,8A-Cis-1-Methyl-3A-(3-Methyl-2-Butenyl)-6-Bromo-1,2,3,3A,8,8A-Hexahydropyrrolo(2,3-B)Indole; Flustramine E; Pyrrolo(2,3-B)Indole, 6-Bromo-1,2,3,3A,8,8A-Hexahydro-1-Methyl-3A-(3-Methyl-2-Butenyl)-, (3As-Cis)-
• Molecular Formula: C₁₆H₂₁BrN₂
• Molecular Weight: 321.26
• CAS Registry Number: 158642-05-8
• SMILES: [C@@]12([C@H](N(CC1)C)NC3=C2C=CC(=C3)Br)CC=C(C)C
• InChI: 1S/C16H21BrN2/c1-11(2)6-7-16-8-9-19(3)15(16)18-14-10-12(17)4-5-13(14)16/h4-6,10,15,18H,7-9H2,1-3H3/t15-,16-/m0/s1
• InChIKey: NXURJBZDLHRCEU-HOTGVXAUSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 381.536°C at 760 mmHg (Cal.)
• Flash point: 184.547°C (Cal.)