gamma-Amanitin, De-S-Oxide
[CAS# 13567-11-8]

Identification

• Name: gamma-Amanitin, De-S-Oxide
• Synonyms: Gamma-Amanitin; Hsdb 3460; Gamma-Amanitine
• Molecular Formula: C₃₉H₅₄N₁₀O₁₂S
• Molecular Weight: 886.98
• CAS Registry Number: 13567-11-8
• EINECS: 236-970-9
• SMILES: C5=C4C3=C(SCC1NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC1=O)CC(=O)N)CC(O)C2)C(C(O)C)C)C3)C(CC)C)[NH]C4=CC(=C5)O
• InChI: 1S/C39H54N10O12S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-62-38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)
• InChIKey: JPQAXLYDHQQGBO-UHFFFAOYSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 1505.781°C at 760 mmHg (Cal.)
• Flash point: 864.465°C (Cal.)