Gambieric acid A

Base Information

• Chemical Name: Gambieric acid A
• CAS No.: 138434-64-7
• Molecular Formula: C59H92O16
• Molecular Weight: 1057.3522
• DSSTox Substance ID: DTXSID60880108
• Wikidata: Q83128746
• Mol file: 138434-64-7.mol

Synonyms:gambieric acid A

Chemical Property of Gambieric acid A

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 210.52000
• Density: 1.26g/cm³
• LogP: 6.83500
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 11
• Exact Mass: 1056.63853684
• Heavy Atom Count: 75
• Complexity: 2100

Purity/Quality:

GAMBIERIC ACID A 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(OC1C(C)CC(=O)O)CC(CC2C(CCC3C(O2)CC4C(O3)(CC5(C(O4)CCC6C(O5)CC=CC(C7C(O6)CC8C(O7)(C(C9C(O8)CC1(C(O9)CC(=C)C(O1)CC(=CC(C)CO)C)C)O)C)C)C)C)O)O
• Isomeric SMILES: C[C@H]1C[C@@H](O[C@H]1[C@@H](C)CC(=O)O)C[C@H](C[C@H]2[C@H](CC[C@H]3[C@H](O2)C[C@H]4[C@](O3)(C[C@]5([C@H](O4)CC[C@H]6[C@H](O5)C/C=C\[C@@H]([C@H]7[C@H](O6)C[C@H]8[C@](O7)([C@H]([C@H]9[C@H](O8)C[C@]1([C@H](O9)CC(=C)[C@H](O1)C/C(=C/[C@@H](C)CO)/C)C)O)C)C)C)C)O)O

Technology Process of Gambieric acid A

There total 1 articles about Gambieric acid A 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: 96.0%

C60H94O16 (1388154-43-5) → gambieric acid A (138434-64-7)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; methanol; water; at 0 - 20 ℃; for 2.5h;

DOI:10.1021/ja305864z

upstream raw materials:

C₆₀H₉₄O₁₆

Refernces