15-(Acetyloxy)-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate

Base Information

• Chemical Name: 15-(Acetyloxy)-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate
• CAS No.: 78368-54-4
• Molecular Formula: C₂₂H₃₂O₉
• Molecular Weight: 440.491
• DSSTox Substance ID: DTXSID80999701
• Mol file: 78368-54-4.mol

Synonyms:15-(Acetyloxy)-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate;DTXSID80999701;Trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 15-acetate 8-(3-hydroxy-3-methylbutanoate), (3-alpha,4-beta,8-alpha)-;LS-157011;[(1S,2R,4S,7R,9R,10R,11S)-2-(Acetyloxymethyl)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] 3-hydroxy-3-methylbutanoate

Chemical Property of 15-(Acetyloxy)-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate

Chemical Property:

• Vapor Pressure: 1.04E-16mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 596.4°C at 760 mmHg
• Flash Point: 202.4°C
• PSA: 135.05000
• Density: 1.36g/cm³
• LogP: 0.23680
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 440.20463259
• Heavy Atom Count: 31
• Complexity: 822

Purity/Quality:

3'-HYDROXY HT-2 TOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(CC1OC(=O)CC(C)(C)O)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
• Isomeric SMILES: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)(C)O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)COC(=O)C

Technology Process of 15-(Acetyloxy)-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate

There total 1 articles about 15-(Acetyloxy)-3,4-dihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

HT-2 toxin (26934-87-2) → 3′-hydroxy-HT-2 (78368-54-4,97373-17-6)

Guidance literature:

With magnesium dicarbide; GLUTATHIONE; cytochrome b5; recombinant pig CYP₃A₂₂ (Leu₃₆Arg, Gly₃₇Glu, Ile₃₈Lys and Pro₃₉Arg mutant with additional Glu-Arg at the N-terminus); dioleoylphosphatidylcholine; 3-[(3-cholamidopropyl)dimethylammonio]propanesulfonate; NADPH; NADPH-P₄₅₀ reductase; at 37 ℃; for 3h; pH=7.4; aq. buffer; Enzymatic reaction;

DOI:10.1016/j.catcom.2010.08.003

upstream raw materials:

HT-2 toxin

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