Isotrichodermin
[CAS# 91423-90-4]

Identification

• Name: Isotrichodermin
• Synonyms: Isotrichodermin; Tichothec-9-En-3-Ol, 12,13-Epoxy-, Acetate, (3Alpha)-
• Molecular Formula: C₁₇H₂₄O₄
• Molecular Weight: 292.37
• CAS Registry Number: 91423-90-4
• SMILES: [C@H]13O[C@H]4[C@@](C(C12OC2)(C[C@H]3OC(=O)C)C)(CCC(=C4)C)C
• InChI: 1S/C17H24O4/c1-10-5-6-15(3)13(7-10)21-14-12(20-11(2)18)8-16(15,4)17(14)9-19-17/h7,12-14H,5-6,8-9H2,1-4H3/t12-,13-,14-,15+,16?,17?/m1/s1
• InChIKey: OZXJPPYWZVBMGW-DJXIOKRSSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 371.232°C at 760 mmHg (Cal.)
• Flash point: 160.98°C (Cal.)