(3alpha,4beta,8alpha)-12,13-Epoxy-Trichothec-9-ene-3,4,8,15-tetrol 3,4,15-triacetate
[CAS# 68165-53-7]

Identification

• Name: (3alpha,4beta,8alpha)-12,13-Epoxy-Trichothec-9-ene-3,4,8,15-tetrol 3,4,15-triacetate
• Molecular Formula: C₂₁H₂₈O₉
• Molecular Weight: 424.45
• CAS Registry Number: 68165-53-7
• SMILES: [C@@]24([C@@]1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](O)C(=C3)C)COC(=O)C)[C@H](OC(=O)C)[C@H]4OC(=O)C)C
• InChI: 1S/C21H28O9/c1-10-6-15-20(7-14(10)25,8-26-11(2)22)19(5)17(29-13(4)24)16(28-12(3)23)18(30-15)21(19)9-27-21/h6,14-18,25H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20+,21-/m0/s1
• InChIKey: ILEMKIHPSTWKCL-HXZSLLSJSA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 518.052°C at 760 mmHg (Cal.)
• Flash point: 174.658°C (Cal.)