(3alpha,4beta,8alpha)-12,13-Epoxy-Trichothec-9-Ene-3,4,8,15-Tetrol 4,15-Diacetate 8-Hexanoate
[CAS# 118143-01-4]

Identification

• Name: (3alpha,4beta,8alpha)-12,13-Epoxy-Trichothec-9-Ene-3,4,8,15-Tetrol 4,15-Diacetate 8-Hexanoate
• Synonyms: 8-Hexanoylneosolaniol; 8-N-Hexanoylneosolaniol
• Molecular Formula: C₂₅H₃₆O₉
• Molecular Weight: 480.55
• CAS Registry Number: 118143-01-4
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](OC(=O)CCCCC)C(=C3)C)COC(=O)C)[C@H](O)[C@H]4OC(=O)C)C
• InChI: 1S/C25H36O9/c1-6-7-8-9-19(28)33-17-11-24(12-30-15(3)26)18(10-14(17)2)34-22-20(29)21(32-16(4)27)23(24,5)25(22)13-31-25/h10,17-18,20-22,29H,6-9,11-13H2,1-5H3/t17-,18+,20+,21+,22+,23+,24+,25?/m0/s1
• InChIKey: NTQOBLPQKXJXCZ-BFAIXHJHSA-N

Properties

• Density: 1.269g/cm³ (Cal.)
• Boiling point: 559.99°C at 760 mmHg (Cal.)
• Flash point: 180.334°C (Cal.)