CID 12310320

Base Information

• Chemical Name: CID 12310320
• CAS No.: 36597-51-0
• Molecular Formula: C₂₉H₄₂O₈
• Molecular Weight: 518.648
• Metabolomics Workbench ID: 199093
• Nikkaji Number: J19.869B
• Wikidata: Q104396791
• Mol file: 36597-51-0.mol

Synonyms:gomphoside;gomphoside, (2alpha(2S,3S,4S,6R),3beta,5alpha)-isomer

Chemical Property of CID 12310320

Chemical Property:

• Vapor Pressure: 1.22E-22mmHg at 25°C
• Boiling Point: 699.8°Cat760mmHg
• Flash Point: 229.3°C
• PSA: 114.68000
• Density: 1.32g/cm³
• LogP: 2.82170
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 518.28796829
• Heavy Atom Count: 37
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

GOMPHOSIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O
• Isomeric SMILES: C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)O

Technology Process of CID 12310320

There total 6 articles about CID 12310320 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%

3'-didehydrogomphoside (88972-30-9) → gomphoside (36597-51-0,18467-08-8) + 3'-epi-gomphoside (89103-54-8,18467-08-8)

Guidance literature:

With hydrogen; Rh on carbon; In methanol; water; at 25 ℃; for 24h;

DOI:10.1002/anie.200500434

Reference yield:

C36H44O9 (866941-37-9) → gomphoside (36597-51-0,18467-08-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / K₂CO₃ / methanol / 0.17 h / 25 °C

2: 80 percent / hydrogen / Rh/C / methanol; H₂O / 24 h / 25 °C

With hydrogen; potassium carbonate; Rh on carbon; In methanol; water;

DOI:10.1002/anie.200500434

Reference yield:

C43H50O11 (866941-35-7) → gomphoside (36597-51-0,18467-08-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / tetra-n-butylammonium acetate / acetonitrile; H₂O / 15 h / 25 °C

2: 80 percent / hydrogen / Rh/C / methanol; H₂O / 24 h / 25 °C

With hydrogen; tetrabutylammonium acetate; Rh on carbon; In methanol; water; acetonitrile;

DOI:10.1002/anie.200500434

upstream raw materials:

2',3'-OO-isopropylidenegomphoside

3'-didehydrogomphoside

C₃₆H₄₄O₉

C₄₃H₅₀O₁₁