4beta-Acetoxy-12,13-epoxytrichothec-9-ene-3alpha,8alpha,15-triol
[CAS# 76348-84-0]

Identification

• Name: 4beta-Acetoxy-12,13-epoxytrichothec-9-ene-3alpha,8alpha,15-triol
• Synonyms: Toxin Nt 2; Toxin Nt-2; Trichothec-9-Ene-3,4,8,15-Tetrol, 12,13-Epoxy-, 4-Acetate, (3Alpha,4Beta,8Alpha)-
• Molecular Formula: C₁₇H₂₄O₇
• Molecular Weight: 340.37
• CAS Registry Number: 76348-84-0
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](O)C(=C3)C)CO)[C@H](O)[C@H]4OC(=O)C)C
• InChI: 1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17?/m0/s1
• InChIKey: CSYVMZMEBKUDRQ-UETZSBHESA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 509.513°C at 760 mmHg (Cal.)
• Flash point: 184.419°C (Cal.)