3'-Hydroxy HT-2 toxin
[CAS# 78368-54-4]

Identification

• Name: 3'-Hydroxy HT-2 toxin
• Synonyms: Trichothec-9-Ene-3,4,8,15-Tetrol, 12,13-Epoxy-, 15-Acetate 8-(3-Hydroxy-3-Methylbutanoate), (3-Alpha,4-Beta,8-Alpha)-
• Molecular Formula: C₂₂H₃₂O₉
• Molecular Weight: 440.49
• CAS Registry Number: 78368-54-4
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](OC(=O)CC(O)(C)C)C(=C3)C)COC(=O)C)[C@H](O)[C@H]4O)C
• InChI: 1S/C22H32O9/c1-11-6-14-21(9-28-12(2)23,7-13(11)30-15(24)8-19(3,4)27)20(5)17(26)16(25)18(31-14)22(20)10-29-22/h6,13-14,16-18,25-27H,7-10H2,1-5H3/t13-,14+,16+,17+,18+,20+,21+,22?/m0/s1
• InChIKey: OJBCMLLFVXXDGS-FZZQTZSPSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 596.393°C at 760 mmHg (Cal.)
• Flash point: 202.409°C (Cal.)