Trichoverrol A
[CAS# 76739-71-4]

Identification

• Name: Trichoverrol A
• Synonyms: Trichothec-9-Ene-4,15-Diol, 12,13-Epoxy-, 4-(6,7-Dihydroxy-2,4-Octadienoate), (4Beta(2Z,4E,6S,7S))-; Trichoverrol A
• Molecular Formula: C₂₃H₃₂O₇
• Molecular Weight: 420.50
• CAS Registry Number: 76739-71-4
• SMILES: [C@@]24([C@@]1(OC1)[C@H](O[C@H]3[C@]2(CCC(=C3)C)CO)C[C@H]4OC(=O)\C=C/C=C/C(O)[C@@H](O)C)C
• InChI: 1S/C23H32O7/c1-14-8-9-22(12-24)18(10-14)29-19-11-17(21(22,3)23(19)13-28-23)30-20(27)7-5-4-6-16(26)15(2)25/h4-7,10,15-19,24-26H,8-9,11-13H2,1-3H3/b6-4+,7-5-/t15-,16?,17+,18+,19+,21+,22-,23-/m0/s1
• InChIKey: QFKRKMXPKBHGGO-ZYTOYANHSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 605.918°C at 760 mmHg (Cal.)
• Flash point: 206.552°C (Cal.)