2'-Methyl-15-Acetoxy-3-Hydroxy-12,13-Epoxytrichotheceno(3,4-d)Oxazole
[CAS# 79320-86-8]

Identification

• Name: 2'-Methyl-15-Acetoxy-3-Hydroxy-12,13-Epoxytrichotheceno(3,4-d)Oxazole
• Synonyms: 3A,4,8,9,10,10A-Hexahydro-3A-Hydroxy-2,7,10-Trimethylspiro(4,10-Methano(1)Benzoxepino(3,4-D)Oxazole-11,2'-Oxirane)-9A(5Ah)-Methanol Acetate (Ester), (3As-(3Aalpha,4Alpha,5Aalpha,9Aalpha,10Alpha,10Aalpha,11R*))-; Maheto; Nsc 320017
• Molecular Formula: C₁₉H₂₅NO₆
• Molecular Weight: 363.41
• CAS Registry Number: 79320-86-8
• SMILES: [C@@]12(OC1)[C@]3([C@@]5([C@H](O[C@@H]2[C@@]4(O)N=C(O[C@@H]34)C)C=C(CC5)C)COC(=O)C)C
• InChI: 1S/C19H25NO6/c1-10-5-6-17(8-23-12(3)21)13(7-10)26-15-18(9-24-18)16(17,4)14-19(15,22)20-11(2)25-14/h7,13-15,22H,5-6,8-9H2,1-4H3/t13-,14+,15+,16-,17-,18+,19-/m1/s1
• InChIKey: VPAFCFZXLOFBST-IVBNJOGPSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 489.262°C at 760 mmHg (Cal.)
• Flash point: 249.697°C (Cal.)