Sordaricin

Base Information

• Chemical Name: Sordaricin
• CAS No.: 51493-69-7
• Molecular Formula: C20H28O4
• Molecular Weight: 332.4339
• DSSTox Substance ID: DTXSID80965825
• Nikkaji Number: J398.346C
• Wikidata: Q77502759
• Metabolomics Workbench ID: 107820
• ChEMBL ID: CHEMBL4582916
• Mol file: 51493-69-7.mol

Synonyms:sordaricin

Chemical Property of Sordaricin

Chemical Property:

• Vapor Pressure: 1.25E-10mmHg at 25°C
• Boiling Point: 465.7°Cat760mmHg
• Flash Point: 249.5°C
• Density: 1.284g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 332.19875937
• Heavy Atom Count: 24
• Complexity: 638

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)CO
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO

Technology Process of Sordaricin

There total 63 articles about Sordaricin 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: 86.0%

C22H32O4 (896435-63-5) → sordaricin (51493-69-7)

Guidance literature:

With sodium 1-propanethiolate; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 20 ℃; for 12h;

DOI:10.1021/ja060408h

Reference yield: 79.0%

methyl 19-hydroxy-17-oxosordaric-1-en-18-oate → sordaricin (51493-69-7)

Guidance literature:

With 1-thiopropane; sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 18 ℃; for 48h;

DOI:10.1021/ol0342599

Reference yield: 75.0%

(-)-sordarin (11076-17-8) → sordaricin (51493-69-7)

Guidance literature:

With hydrogenchloride; In acetone; at 20 ℃; for 48h;

DOI:10.1016/S0960-894X(02)00937-X

upstream raw materials:

(-)-sordarin

methyl (1S,3aR,4S,7R,7aS,1'R,2'R,5'R)-1-[2'-(1''-formylvinyl)-5'-methylcyclopentylmethyl]-1-hydroxymethyl-3-isopropyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2-carboxylate

C₂₂H₃₂O₄

C₂₂H₃₀O₄

Downstream raw materials:

C₂₈H₃₆O₅

C₃₀H₃₈O₆

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