Salannin

Base Information

• Chemical Name: Salannin
• CAS No.: 992-20-1
• Deprecated CAS: 154082-46-9
• Molecular Formula: C₃₄H₄₄O₉
• Molecular Weight: 596.718
• DSSTox Substance ID: DTXSID6058500
• Nikkaji Number: J16.356B
• Wikidata: Q27104942
• Metabolomics Workbench ID: 144220
• ChEMBL ID: CHEMBL3823041
• Mol file: 992-20-1.mol

Synonyms:salannin

Chemical Property of Salannin

Chemical Property:

• Melting Point: 167～170℃
• PSA: 110.50000
• LogP: 5.29100
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 596.29853298
• Heavy Atom Count: 43
• Complexity: 1250

Purity/Quality:

98% ^*data from raw suppliers

Salannin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C(C4(C3OC5C4=C(C(C5)C6=COC=C6)C)C)CC(=O)OC)C)C)OC(=O)C
• Isomeric SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)OC(=O)C
• Uses: Salannin is a limonoid found in Neem with a possible melanogenesis-inhibitory activity.

Technology Process of Salannin

There total 1 articles about Salannin 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: 80.0%

acetic anhydride (108-24-7) + 3-Desacetylsalannin (1110-56-1) → Salannin (992-20-1)

Guidance literature:

With dmap; In pyridine; at 20 ℃; for 2h;

DOI:10.1002/jlac.198119810124

Reference yield:

salannin (992-20-1) → C34H40O7 (125215-19-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 57 percent / 40percent Triton B / methanol / 72 h / Ambient temperature

2: 62 percent / pyridinium para-toluenesulphonate / benzene / 0.5 h / Heating

With pyridinium p-toluenesulfonate; N-benzyl-trimethylammonium hydroxide; In methanol; benzene;

DOI:10.1016/S0040-4020(01)81095-4

upstream raw materials:

acetic anhydride

3-Desacetylsalannin

Downstream raw materials:

C₃₄H₄₀O₇