Actinomycin C3
[CAS# 6156-47-4]

Identification

• Name: Actinomycin C3
• Synonyms: 2-Amino-N,N'-Bis(10-Isopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-3-Sec-Butyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-4,6-Dimethyl-3-Oxo-Phenoxazine-1,9-Dicarboxamide; 2-Amino-N,N'-Bis(10-Isopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-3-Sec-Butyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-4,6-Dimethyl-3-Oxophenoxazine-1,9-Dicarboxamide; 2-Amino-N,N'-Bis(10-Isopropyl-2,5,9,12,15-Pentaketo-7,11,14-Trimethyl-3-Sec-Butyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl)-3-Keto-4,6-Dimethyl-Phenoxazine-1,9-Dicarboxamide
• Molecular Formula: C₆₄H₉₀N₁₂O₁₆
• Molecular Weight: 1283.49
• CAS Registry Number: 6156-47-4
• SMILES: C5=C(C2=C(OC1=C(C(=O)C(=C(C1=N2)C(NC4C(NC(C(N3C(CCC3)C(N(C)CC(N(C(C(OC4C)=O)C(C)C)C)=O)=O)=O)C(CC)C)=O)=O)N)C)C(=C5)C)C(NC7C(NC(C(N6C(CCC6)C(N(C)CC(N(C(C(OC7C)=O)C(C)C)C)=O)=O)=O)C(CC)C)=O)=O
• InChI: 1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)
• InChIKey: XLGPRYUFOGVPMM-UHFFFAOYSA-N

Properties

• Density: 1.406g/cm³ (Cal.)
• Boiling point: 1390.592°C at 760 mmHg (Cal.)
• Flash point: 794.802°C (Cal.)