Uscharin

Base Information

• Chemical Name: Uscharin
• CAS No.: 24211-81-2
• Molecular Formula: C31H41 N O8 S
• Molecular Weight: 587.734
• UNII: L7XQV67FTV
• ChEMBL ID: CHEMBL500585
• Metabolomics Workbench ID: 139549
• Nikkaji Number: J16.391K
• Pharos Ligand ID: HY7C5T28UH3N
• Wikidata: Q27282814

Synonyms:Uscharin;Uscharine;L7XQV67FTV;24211-81-2;UNII-L7XQV67FTV;USCHARIN [MI];CHEMBL500585;BDBM50277175;14-Hydroxy-2,3-((6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-19-oxocard-20(22)-enolide (2alpha(5S,6R,7S,9R),3beta,5alpha)-;Card-20(22)-enolide, 14-hydroxy-2,3-((6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-19-oxo-, (2alpha(5S,6R,7S,9R),3beta,5alpha)-;Q27282814;CARD-20(22)-ENOLIDE, 14-HYDROXY-2,3-(((5S,6R,7S,9R)-6-HYDROXY-9-METHYL-8-OXA-1-THIA-4-AZASPIRO(4.5)DEC-3-ENE-6,7-DIYL)BIS(OXY))-19-OXO-, (2.ALPHA.,3.BETA.,5.ALPHA.)-;CARD-20(22)-ENOLIDE, 14-HYDROXY-2,3-((6-HYDROXY-9-METHYL-8-OXA-1-THIA-4-AZASPIRO(4.5)DEC-3-ENE-6,7-DIYL)BIS(OXY))-19-OXO-, (2.ALPHA.(5S,6R,7S,9R),3.BETA.,5.ALPHA.)-

Chemical Property of Uscharin

Chemical Property:

• Boiling Point: 802.4°Cat760mmHg
• Flash Point: 439°C
• Density: 1.62g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 587.25528844
• Heavy Atom Count: 41
• Complexity: 1230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2(C3(C(O1)OC4CC5CCC6C(C5(CC4O3)C=O)CCC7(C6(CCC7C8=CC(=O)OC8)O)C)O)N=CCS2
• Isomeric SMILES: C[C@@H]1C[C@]2([C@]3([C@@H](O1)O[C@@H]4C[C@@H]5CC[C@@H]6[C@@H]([C@]5(C[C@H]4O3)C=O)CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)N=CCS2

Technology Process of Uscharin

There total 1 articles about Uscharin 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:

1,4-dithiane-2,5-diol (40018-26-6) + Uscharidin (24321-47-9,20304-48-7) → uscharin (24211-81-2)

Guidance literature:

With ammonia;

Reference yield:

uscharin (24211-81-2) → voruscharin (27892-03-1)

Guidance literature:

With calcium bis<(trimethoxy)hydroborate>; In N,N-dimethyl-formamide; at 60 ℃; for 48h;

Reference yield:

uscharin (24211-81-2) → Uscharidin (24321-47-9,20304-48-7)

Guidance literature:

With mercury dichloride; In water; acetone; for 5h; Ambient temperature;

upstream raw materials:

1,4-dithiane-2,5-diol

Uscharidin

Downstream raw materials:

2α,14-dihydroxy-3β-((2S)-6c-methyl-3,4-dioxo-tetrahydro-pyran-2r-yloxy)-19-oxo-5α,14β-card-20(22)-enolid; uscharidine

voruscharin

Uscharidin

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