Desacetylundulatone

Base Information

• Chemical Name: Desacetylundulatone
• CAS No.: 70993-79-2
• Molecular Formula: C25H32O10
• Molecular Weight: 492.5156
• NSC Number: 367543
• Mol file: 70993-79-2.mol

Synonyms:NSC367543;DESACETYLUNDULATONE;70993-79-2;NSC-367543;Picras-3-ene-2, 11,20-epoxy-1,11,12,15-tetrahydroxy-6-[(2-methyl-1-oxo-2-butenyl)oxy]-, [1.beta.,6.alpha.(E),11.beta.,12.alpha.,15.beta.]-

Chemical Property of Desacetylundulatone

Chemical Property:

• Vapor Pressure: 4.22E-23mmHg at 25°C
• Boiling Point: 707°Cat760mmHg
• Flash Point: 238.9°C
• Density: 1.46g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 492.19954721
• Heavy Atom Count: 35
• Complexity: 1060

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1C2C(=CC(=O)C(C2(C3C45C1OC(=O)C(C4C(C(C3(OC5)O)O)C)O)C)O)C
• Isomeric SMILES: C/C=C(\C)/C(=O)OC1C2C(=CC(=O)C(C2(C3C45C1OC(=O)C(C4C(C(C3(OC5)O)O)C)O)C)O)C

Technology Process of Desacetylundulatone

There total 2 articles about Desacetylundulatone 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: 10.0%

undulatone (70993-77-0) → 15-des-acetylundulatone (70993-79-2)

Guidance literature:

With methanol; In water; for 1h; Ambient temperature;

DOI:10.1016/S0031-9422(00)85005-0

Reference yield:

6α-tigloyloxyglaucarubol → 15-des-acetylundulatone (70993-79-2)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1016/S0031-9422(00)85005-0

upstream raw materials:

undulatone