(-)-12,13-Epoxytrichotheca-9-Ene-4b,15-Diol 15-[(E)-5-Hydroxy-3-Methyl-2-Pentenoate]
[CAS# 84412-91-9]

Identification

• Name: (-)-12,13-Epoxytrichotheca-9-Ene-4b,15-Diol 15-[(E)-5-Hydroxy-3-Methyl-2-Pentenoate]
• Molecular Formula: C₂₁H₃₀O₆
• Molecular Weight: 378.46
• CAS Registry Number: 84412-91-9
• SMILES: [C@@]24([C@]3([C@@]1(COC(/C=C(/CCO)C)=O)CCC(=C[C@H]1O[C@@H]2C[C@H]3O)C)C)OC4
• InChI: 1S/C21H30O6/c1-13-4-6-20(11-25-18(24)9-14(2)5-7-22)16(8-13)27-17-10-15(23)19(20,3)21(17)12-26-21/h8-9,15-17,22-23H,4-7,10-12H2,1-3H3/b14-9+/t15-,16-,17-,19-,20-,21+/m1/s1
• InChIKey: PZTXWUDHQJHJOJ-LJQLBOGDSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 544.902°C at 760 mmHg (Cal.)
• Flash point: 188.504°C (Cal.)