12,13-Deoxytrichoverrin
[CAS# 123025-01-4]

Identification

• Name: 12,13-Deoxytrichoverrin
• Synonyms: Trichotheca-9,12-Diene-4,15-Diol, 4-(6,7-Dihydroxy-2,4-Octadienoate) 15-(5-Hydroxy-3-Methyl-2-Pentenoate), (4Beta(2E,4E,6S,7S),15(E))-
• Molecular Formula: C₂₉H₄₀O₈
• Molecular Weight: 516.63
• CAS Registry Number: 123025-01-4
• SMILES: [C@@]12([C@@]3([C@H](O[C@H](C1=C)C[C@H]2OC(=O)\C=C/C=C/[C@H](O)[C@@H](O)C)C=C(CC3)C)COC(=O)\C=C(\CCO)C)C
• InChI: 1S/C29H40O8/c1-18-10-12-29(17-35-27(34)15-19(2)11-13-30)25(14-18)36-23-16-24(28(29,5)20(23)3)37-26(33)9-7-6-8-22(32)21(4)31/h6-9,14-15,21-25,30-32H,3,10-13,16-17H2,1-2,4-5H3/b8-6+,9-7-,19-15+/t21-,22-,23-,24+,25+,28-,29+/m0/s1
• InChIKey: DQMXCXZEZVSOMG-CRBVBYKRSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 660.573°C at 760 mmHg (Cal.)
• Flash point: 210.548°C (Cal.)