12-(2,3-Dihydroxy-2-Methylpropyl)-23-Hydroxy-6-(1-Hydroxyethyl)-15-(1H-Indol-3-Ylmethyl)-3,9,18-Trimethyl-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone
[CAS# 35173-40-1]

Identification

• Name: 12-(2,3-Dihydroxy-2-Methylpropyl)-23-Hydroxy-6-(1-Hydroxyethyl)-15-(1H-Indol-3-Ylmethyl)-3,9,18-Trimethyl-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone
• Synonyms: 12-(2,3-Dihydroxy-2-Methyl-Propyl)-23-Hydroxy-6-(1-Hydroxyethyl)-15-(1H-Indol-3-Ylmethyl)-3,9,18-Trimethyl-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone; Dethiophalloidin; Phalloidin, 3-L-Alanine-6-L-Tryptophan-
• Molecular Formula: C₃₅H₅₀N₈O₁₁
• Molecular Weight: 758.83
• CAS Registry Number: 35173-40-1
• SMILES: C1=C(C2=C([NH]1)C=CC=C2)CC3NC(=O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC(O)(CO)C)C)C(O)C)C)CC(O)C4)C
• InChI: 1S/C35H50N8O11/c1-16-28(47)40-24(10-20-13-36-23-9-7-6-8-22(20)23)30(49)41-25(12-35(5,54)15-44)31(50)37-17(2)29(48)42-27(19(4)45)33(52)39-18(3)34(53)43-14-21(46)11-26(43)32(51)38-16/h6-9,13,16-19,21,24-27,36,44-46,54H,10-12,14-15H2,1-5H3,(H,37,50)(H,38,51)(H,39,52)(H,40,47)(H,41,49)(H,42,48)
• InChIKey: IYJPKTWFAHJIAW-UHFFFAOYSA-N

Properties

• Density: 1.441g/cm³ (Cal.)
• Boiling point: 1319.667°C at 760 mmHg (Cal.)
• Flash point: 751.908°C (Cal.)