Phallisacin
[CAS# 58286-46-7]

Identification

• Name: Phallisacin
• Synonyms: Phallisacin
• Molecular Formula: C₃₇H₅₀N₈O₁₄S
• Molecular Weight: 862.91
• CAS Registry Number: 58286-46-7
• SMILES: C5=C4C3=C(SCC1NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C1=O)CC(O)C2)C)C3)CC(O)(CO)CO)C(C)C)C(O)C(=O)O)[NH]C4=CC=C5
• InChI: 1S/C37H50N8O14S/c1-15(2)25-32(54)44-26(27(49)36(57)58)33(55)41-23-12-60-34-19(18-6-4-5-7-20(18)42-34)9-21(29(51)40-22(30(52)43-25)10-37(59,13-46)14-47)39-28(50)16(3)38-31(53)24-8-17(48)11-45(24)35(23)56/h4-7,15-17,21-27,42,46-49,59H,8-14H2,1-3H3,(H,38,53)(H,39,50)(H,40,51)(H,41,55)(H,43,52)(H,44,54)(H,57,58)
• InChIKey: CUMAQJMTVOVGKD-UHFFFAOYSA-N

Properties

• Density: 1.584g/cm³ (Cal.)
• Boiling point: 1512.122°C at 760 mmHg (Cal.)
• Flash point: 868.3°C (Cal.)