Excisanin A

Base Information

• Chemical Name: Excisanin A
• CAS No.: 78536-37-5
• Molecular Formula: C₂₀H₃₀O₅
• Molecular Weight: 350.455
• ChEMBL ID: CHEMBL480677
• Metabolomics Workbench ID: 138033
• Nikkaji Number: J12.131B
• Wikidata: Q105178412
• Mol file: 78536-37-5.mol

Synonyms:1,7,12,14-tetrahydroxykaur-16-en-15-one (1alpha,7alpha,12alpha,14R);excisanin A

Chemical Property of Excisanin A

Chemical Property:

• Vapor Pressure: 8.24E-15mmHg at 25°C
• Boiling Point: 558.7°C at 760 mmHg
• Flash Point: 305.8°C
• PSA: 97.99000
• Density: 1.3g/cm³
• LogP: 1.03760
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 350.20932405
• Heavy Atom Count: 25
• Complexity: 642

Purity/Quality:

99% ^*data from raw suppliers

ExcisaninA 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(C2(C1CC(C34C2CC(C(C3O)C(=C)C4=O)O)O)C)O)C
• Isomeric SMILES: C[C@@]12[C@H](CCC([C@H]1C[C@H]([C@]34[C@H]2C[C@@H]([C@H]([C@H]3O)C(=C)C4=O)O)O)(C)C)O

Technology Process of Excisanin A

There total 1 articles about Excisanin 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:

excisanin B (78536-36-4) → excisanin A (78536-37-5)

Guidance literature:

With sodium hydroxide;

Reference yield:

excisanin A (78536-37-5) → C39H50O7 (1599477-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: toluene-4-sulfonic acid / acetone / 0.5 h / 20 °C

2.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C / Inert atmosphere

2.2: 3 h / 20 °C / Reflux; Inert atmosphere

With sodium hydride; toluene-4-sulfonic acid; In tetrahydrofuran; acetone; mineral oil;

DOI:10.1016/j.tet.2014.02.082

Reference yield:

excisanin A (78536-37-5) → C36H46O7 (1599477-48-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: toluene-4-sulfonic acid / acetone / 0.5 h / 20 °C

2.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 20 °C / Inert atmosphere

2.2: 3 h / 20 °C / Reflux; Inert atmosphere

3.1: hydrogenchloride / methanol; tetrahydrofuran; water / 15 h / 20 °C

With hydrogenchloride; sodium hydride; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; water; acetone; mineral oil;

DOI:10.1016/j.tet.2014.02.082

upstream raw materials:

excisanin B

Downstream raw materials:

C₃₉H₅₀O₇

C₃₆H₄₆O₇

C₃₂H₅₆O₄Si₂

C₃₂H₅₆O₄Si₂

Refernces