3-Acetyl T-2 Toxin
[CAS# 21259-21-2]

Identification

• Name: 3-Acetyl T-2 Toxin
• Synonyms: 3-Acetyl T-2 Toxin; Acetyl T-2; Brn 6494202
• Molecular Formula: C₂₆H₃₆O₁₀
• Molecular Weight: 508.56
• CAS Registry Number: 21259-21-2
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](OC(=O)CC(C)C)C(=C3)C)COC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)C
• InChI: 1S/C26H36O10/c1-13(2)8-20(30)35-18-10-25(11-31-15(4)27)19(9-14(18)3)36-23-21(33-16(5)28)22(34-17(6)29)24(25,7)26(23)12-32-26/h9,13,18-19,21-23H,8,10-12H2,1-7H3/t18-,19+,21+,22+,23+,24+,25+,26?/m0/s1
• InChIKey: NOTOVTQRFFVBSB-ZYWOEDSGSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 551.964°C at 760 mmHg (Cal.)
• Flash point: 233.025°C (Cal.)