(3alpha)-12,13-Epoxy-Trichothec-9-Ene-3,15-Diol
[CAS# 38818-67-6]

Identification

• Name: (3alpha)-12,13-Epoxy-Trichothec-9-Ene-3,15-Diol
• Synonyms: 3,15-Dideacetylcalonectrin; 3,15-Didesacetylcalonectrin; 3,15-Dihydroxy-12,13-Epoxytrichothec-9-Ene
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 38818-67-6
• SMILES: [C@@]12(OC1)[C@]3([C@@]4([C@H](O[C@@H]2[C@H](O)C3)C=C(CC4)C)CO)C
• InChI: 1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-10(17)6-13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13-,14-,15+/m1/s1
• InChIKey: NBRKAFIHDFEBCP-OJVARPOJSA-N

Properties

• Density: 1.303g/cm³ (Cal.)
• Boiling point: 420.96°C at 760 mmHg (Cal.)
• Flash point: 208.389°C (Cal.)