Phallacidin
[CAS# 26645-35-2]

Identification

• Name: Phallacidin
• Synonyms: P8157_Sigma; Phallacidin From Amanita Phalloides; Brn 0604129
• Molecular Formula: C₃₇H₅₀N₈O₁₃S
• Molecular Weight: 846.91
• CAS Registry Number: 26645-35-2
• 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)C)C(C)C)C(O)C(=O)O)[NH]C4=CC=C5
• InChI: 1S/C37H50N8O13S/c1-15(2)25-32(53)44-26(27(48)36(56)57)33(54)41-23-13-59-34-19(18-7-5-6-8-20(18)42-34)10-21(29(50)40-22(30(51)43-25)11-37(4,58)14-46)39-28(49)16(3)38-31(52)24-9-17(47)12-45(24)35(23)55/h5-8,15-17,21-27,42,46-48,58H,9-14H2,1-4H3,(H,38,52)(H,39,49)(H,40,50)(H,41,54)(H,43,51)(H,44,53)(H,56,57)
• InChIKey: KUBDTFZQCYLLGC-UHFFFAOYSA-N

Properties

• Density: 1.547g/cm³ (Cal.)
• Boiling point: 1435.246°C at 760 mmHg (Cal.)
• Flash point: 821.807°C (Cal.)