(3alpha)-12,13-Epoxytrichothec-9-ene-3,15-diol diacetate
[CAS# 38818-51-8]

Identification

• Name: (3alpha)-12,13-Epoxytrichothec-9-ene-3,15-diol diacetate
• Synonyms: Calonectrin; Trichothec-9-Ene-3,15-Diol, 12,13-Epoxy-, Diacetate, (3-Alpha)-; (3-Alpha)-12,13-Epoxytrichothec-9-Ene-3,15-Diol Diacetate
• Molecular Formula: C₁₉H₂₆O₆
• Molecular Weight: 350.41
• CAS Registry Number: 38818-51-8
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(CCC(=C3)C)COC(=O)C)[C@H](OC(=O)C)C4)C
• InChI: 1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-14(24-13(3)21)8-17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3/t14-,15-,16-,17-,18-,19?/m1/s1
• InChIKey: IGDIDZAQDRAJRB-NXWNTDFDSA-N

Properties

• Density: 1.249g/cm³ (Cal.)
• Boiling point: 429.085°C at 760 mmHg (Cal.)
• Flash point: 186.31°C (Cal.)