Actinomycin E2
[CAS# 1402-42-2]

Identification

• Name: Actinomycin E2
• Synonyms: 2-Amino-4,6-Dimethyl-3-Oxo-N,N'-Bis(7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-3,10-Disec-Butyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)Phenoxazine-1,9-Dicarboxamide; 2-Amino-3-Keto-4,6-Dimethyl-N,N'-Bis(2,5,9,12,15-Pentaketo-7,11,14-Trimethyl-3,10-Disec-Butyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)Phenoxazine-1,9-Dicarboxamide; 2-Amino-N,N'-Bis[3,10-Di(Butan-2-Yl)-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl]-4,6-Dimethyl-3-Oxo-Phenoxazine-1,9-Dicarboxamide
• Molecular Formula: C₆₆H₉₄N₁₂O₁₆
• Molecular Weight: 1311.54
• CAS Registry Number: 1402-42-2
• SMILES: C1=CC(=C3C(=C1C)OC2=C(C(C(=C(C2=N3)C(NC4C(OC(C(N(C(CN(C(C5N(C(C(NC4=O)C(C)CC)=O)CCC5)=O)C)=O)C)C(C)CC)=O)C)=O)N)=O)C)C(NC6C(OC(C(N(C(CN(C(C7N(C(C(NC6=O)C(CC)C)=O)CCC7)=O)C)=O)C)C(C)CC)=O)C)=O
• InChI: 1S/C66H94N12O16/c1-17-31(5)46-63(88)77-27-21-23-40(77)61(86)73(13)29-42(79)75(15)52(33(7)19-3)65(90)92-37(11)48(59(84)69-46)71-57(82)39-26-25-35(9)55-50(39)68-51-44(45(67)54(81)36(10)56(51)94-55)58(83)72-49-38(12)93-66(91)53(34(8)20-4)76(16)43(80)30-74(14)62(87)41-24-22-28-78(41)64(89)47(32(6)18-2)70-60(49)85/h25-26,31-34,37-38,40-41,46-49,52-53H,17-24,27-30,67H2,1-16H3,(H,69,84)(H,70,85)(H,71,82)(H,72,83)
• InChIKey: ICMBEGIECJGHSL-UHFFFAOYSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 1395.599°C at 760 mmHg (Cal.)
• Flash point: 797.829°C (Cal.)