12,13-Epoxytrichothec-9-Ene-3alpha,8alpha,15-Triol 8-(3-Methylbutyrate)
[CAS# 101401-89-2]

Identification

• Name: 12,13-Epoxytrichothec-9-Ene-3alpha,8alpha,15-Triol 8-(3-Methylbutyrate)
• Molecular Formula: C₂₀H₃₀O₆
• Molecular Weight: 366.45
• CAS Registry Number: 101401-89-2
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](OC(=O)CC(C)C)C(=C3)C)CO)[C@H](O)C4)C
• InChI: 1S/C20H30O6/c1-11(2)5-16(23)25-14-8-19(9-21)15(6-12(14)3)26-17-13(22)7-18(19,4)20(17)10-24-20/h6,11,13-15,17,21-22H,5,7-10H2,1-4H3/t13-,14+,15-,17-,18-,19-,20?/m1/s1
• InChIKey: RCFUVEKOPPKTBN-XHNUPVCRSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 496.02°C at 760 mmHg (Cal.)
• Flash point: 170.486°C (Cal.)