Triostin A
[CAS# 13758-27-5]

Identification

• Name: Triostin A
• Synonyms: N-[4,17-Diisopropyl-3,11,13,16,24,26-Hexamethyl-2,5,9,12,15,18,22,25-Octaoxo-8-(Quinoxaline-2-Carbonylamino)-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]Quinoxaline-2-Carboxamide; N-[4,17-Diisopropyl-3,11,13,16,24,26-Hexamethyl-2,5,9,12,15,18,22,25-Octaoxo-8-[[Oxo-(2-Quinoxalinyl)Methyl]Amino]-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]-2-Quinoxalinecarboxamide; N-[4,17-Diisopropyl-2,5,9,12,15,18,22,25-Octaketo-3,11,13,16,24,26-Hexamethyl-8-(Quinoxaline-2-Carbonylamino)-6,19-Dioxa-28,29-Dithia-3,10,13,16,23,26-Hexazabicyclo[12.12.4]Triacontan-21-Yl]Quinoxaline-2-Carboxamide
• Molecular Formula: C₅₀H₆₂N₁₂O₁₂S₂
• Molecular Weight: 1087.23
• CAS Registry Number: 13758-27-5
• SMILES: C6=C(C(NC1C(NC(C(N(C2C(N(C(C(OCC(C(NC(C)C(N(C(C(N(C(C(=O)OC1)C(C)C)C)=O)CSSC2)C)=O)=O)NC(C4=CN=C3C=CC=CC3=N4)=O)=O)C(C)C)C)=O)C)=O)C)=O)=O)N=C5C=CC=CC5=N6
• InChI: 1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)
• InChIKey: GULVULFEAVZHHC-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 1417.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 810.9±34.3°C (Cal.)