Agelasine G
[CAS# 142808-37-5]

Identification

• Name: Agelasine G
• Synonyms: [(4As,5R,6S,8Ar)-5-[(E)-5-(6-Amino-9-Methyl-8H-Purin-7-Ium-7-Yl)-3-Methyl-Pent-3-Enyl]-5,6,8A-Trimethyl-3,4,4A,6,7,8-Hexahydronaphthalen-1-Yl]Methyl 4-Bromo-1H-Pyrrole-2-Carboxylate; 4-Bromo-1H-Pyrrole-2-Carboxylic Acid [(4As,5R,6S,8Ar)-5-[(E)-5-(6-Amino-9-Methyl-8H-Purin-7-Ium-7-Yl)-3-Methylpent-3-Enyl]-5,6,8A-Trimethyl-3,4,4A,6,7,8-Hexahydronaphthalen-1-Yl]Methyl Ester; 4-Bromo-1H-Pyrrole-2-Carboxylic Acid [(4As,5R,6S,8Ar)-5-[(E)-5-(6-Amino-9-Methyl-8H-Purin-7-Ium-7-Yl)-3-Methyl-Pent-3-Enyl]-5,6,8A-Trimethyl-3,4,4A,6,7,8-Hexahydronaphthalen-1-Yl]Methyl Ester
• Molecular Formula: C₃₁H₄₄BrN₆O₂
• Molecular Weight: 612.63
• CAS Registry Number: 142808-37-5
• SMILES: [C@H]13[C@](C(=CCC1)COC(=O)C2=CC(=C[NH]2)Br)(CC[C@@H]([C@]3(CC\C(=C\C[NH+]4C5=C(N(C4)C)N=CN=C5N)C)C)C)C
• InChI: 1S/C31H43BrN6O2/c1-20(11-14-38-19-37(5)28-26(38)27(33)35-18-36-28)9-12-30(3)21(2)10-13-31(4)22(7-6-8-25(30)31)17-40-29(39)24-15-23(32)16-34-24/h7,11,15-16,18,21,25,34H,6,8-10,12-14,17,19H2,1-5H3,(H2,33,35,36)/p+1/b20-11+/t21-,25-,30+,31-/m0/s1
• InChIKey: CFXKQCPPCNHNCZ-DAYZJRKYSA-O

Properties

• Boiling point: 734.406°C at 760 mmHg (Cal.)
• Flash point: 397.955°C (Cal.)