3,15-Diacetoxy-4-hydroxy-8-(3-methyl-3'-hydroxybutyryloxy)-12,13-epoxytrichothec-9-ene
[CAS# 100762-36-5]

Identification

• Name: 3,15-Diacetoxy-4-hydroxy-8-(3-methyl-3'-hydroxybutyryloxy)-12,13-epoxytrichothec-9-ene
• Synonyms: Trichothec-9-Ene-3,4,8,15-Tetrol, 12,13-Epoxy-, 3,15-Diacetate 8-(3-Hydroxy-3-Methylbutanoate), (3Alpha,4Beta,8Alpha)-; 3,15-Diacetoxy-4-Hydroxy-8-(3-Methyl-3'-Hydroxybutyryloxy)-12,13-Epoxytrichothec-9-Ene; Iso Tc 1
• Molecular Formula: C₂₄H₃₄O₁₀
• Molecular Weight: 482.53
• CAS Registry Number: 100762-36-5
• SMILES: [C@@]24(C1(OC1)[C@H](O[C@H]3[C@@]2(C[C@H](OC(=O)CC(O)(C)C)C(=C3)C)COC(=O)C)[C@H](OC(=O)C)[C@H]4O)C
• InChI: 1S/C24H34O10/c1-12-7-16-23(10-30-13(2)25,8-15(12)33-17(27)9-21(4,5)29)22(6)19(28)18(32-14(3)26)20(34-16)24(22)11-31-24/h7,15-16,18-20,28-29H,8-11H2,1-6H3/t15-,16+,18+,19+,20+,22+,23+,24?/m0/s1
• InChIKey: FOHUQNSVOKPYSD-YISZDYRHSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 600.102°C at 760 mmHg (Cal.)
• Flash point: 197.892°C (Cal.)