Actinomycin C
[CAS# 8052-16-2]

Identification

• Name: Actinomycin C
• Synonyms: 2-Amino-N'-[(3S,6S,7R,10S,16S)-3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl]-N-[(3S,6S,7R,10S,16S)-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'-[(3S,6S,7R,10S,16S)-3,10-Diisopropyl-2,5,9,12,15-Pentaketo-7,11,14-Trimethyl-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl]-N-[(3S,6S,7R,10S,16S)-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; 2-Amino-N'-[(3S,6S,7R,10S,16S)-3,10-Diisopropyl-7,11,14-Trimethyl-2,5,9,12,15-Pentaoxo-8-Oxa-1,4,11,14-Tetrazabicyclo[14.3.0]Nonadecan-6-Yl]-N-[(3S,6S,7R,10S,16S)-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
• Molecular Formula: C₆₃H₈₈N₁₂O₁₆
• Molecular Weight: 1269.46
• CAS Registry Number: 8052-16-2
• EINECS: 232-485-1
• SMILES: [C@@H]6(NC(=O)C1=C(N)C(=O)C(=C2OC3=C(N=C12)C(=CC=C3C)C(=O)N[C@@H]4C(=O)N[C@H](C(=O)N5[C@H](C(=O)N(CC(=O)N([C@H](C(O[C@@H]4C)=O)C(C)C)C)C)CCC5)C(C)C)C)C(=O)N[C@H](C(=O)N7[C@H](C(=O)N(CC(=O)N([C@H](C(O[C@@H]6C)=O)C(C)C)C)C)CCC7)[C@H](CC)C
• InChI: 1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t31-,34+,35+,37-,38-,43-,44-,45-,46-,49-,50-/m0/s1
• InChIKey: QCXJFISCRQIYID-IAEPZHFASA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 1388.259°C at 760 mmHg (Cal.)
• Flash point: 793.39°C (Cal.)