12,13-Epoxytrichothec-9-Ene-3alpha,4beta,7,8,15-Pentol 4,15-Diacetate
[CAS# 54831-24-2]

Identification

• Name: 12,13-Epoxytrichothec-9-Ene-3alpha,4beta,7,8,15-Pentol 4,15-Diacetate
• Synonyms: Trichothec-9-Ene-3,4,7,8,15-Pentol, 12,13-Epoxy-, 4,15-Diacetate, (3-Alpha,4-Beta)-; 7,8-Dihydroxydiacetoxyscirpenol
• Molecular Formula: C₁₉H₂₆O₉
• Molecular Weight: 398.41
• CAS Registry Number: 54831-24-2
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C(O)C(O)C(=C3)C)COC(=O)C)[C@H](O)[C@H]4OC(=O)C)C
• InChI: 1S/C19H26O9/c1-8-5-11-18(6-25-9(2)20,14(24)12(8)22)17(4)15(27-10(3)21)13(23)16(28-11)19(17)7-26-19/h5,11-16,22-24H,6-7H2,1-4H3/t11-,12?,13-,14?,15-,16-,17-,18-,19?/m1/s1
• InChIKey: ARKWUSFUCGIADI-GVDPSCCPSA-N

Properties

• Density: 1.452g/cm³ (Cal.)
• Boiling point: 544.09°C at 760 mmHg (Cal.)
• Flash point: 190.485°C (Cal.)