CID 15559043

Base Information

• Chemical Name: CID 15559043
• CAS No.: 20086-06-0
• Molecular Formula: C₁₉H₂₀O₆
• Molecular Weight: 344.364
• Wikidata: Q105219086
• Mol file: 20086-06-0.mol

Synonyms:diosbulbin B

Chemical Property of CID 15559043

Chemical Property:

• Vapor Pressure: 3.25E-13mmHg at 25°C
• Melting Point: 285 °C
• Refractive Index: 1.613
• Boiling Point: 574.8 °C at 760 mmHg
• Flash Point: 301.4 °C
• PSA: 74.97000
• Density: 1.43 g/cm³
• LogP: 2.38300
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 344.12598835
• Heavy Atom Count: 25
• Complexity: 662

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diosbulbin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(OC13CC(C4C2CC5CC4C(=O)O5)OC3=O)C6=COC=C6

Technology Process of CID 15559043

There total 1 articles about CID 15559043 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:

→ C19H20O6 (20086-06-0,43207-42-7)

Guidance literature:

aus Verb. (5);

Reference yield:

(2R,6S,6aS,7R,10R,11aR,11bS)-2-(furan-3-yl)-11b-methylhexahydro-1H-3a,6:7,10-dimethanofuro[2,3-c]oxepino[4,5-e]oxepine-4,8(2H,6H)-dione (20086-06-0,43207-42-7) + 4-bromobenzyl mercaptan (19552-10-4) + 1,4-diaminobutane (110-60-1) → C30H35BrN2O5S

Guidance literature:

(2R,6S,6aS,7R,10R,11aR,11bS)-2-(furan-3-yl)-11b-methylhexahydro-1H-3a,6:7,10-dimethanofuro[2,3-c]oxepino[4,5-e]oxepine-4,8(2H,6H)-dione; With 3,3-dimethyldioxirane; In acetone; at 20 ℃; for 1h;

4-bromobenzyl mercaptan; With triethylamine; In acetone; at 20 ℃; for 1h;

1,4-diaminobutane; In acetone; for 12h;

DOI:10.1021/acs.chemrestox.0c00017

Reference yield:

(2R,6S,6aS,7R,10R,11aR,11bS)-2-(furan-3-yl)-11b-methylhexahydro-1H-3a,6:7,10-dimethanofuro[2,3-c]oxepino[4,5-e]oxepine-4,8(2H,6H)-dione (20086-06-0,43207-42-7) → C29H31BrN2O7S

Guidance literature:

Multi-step reaction with 2 steps

1: 3,3-dimethyldioxirane / acetone / 1.17 h / 20 °C / Cooling with ice

2: aq. buffer / 3 h / 70 °C / pH 7.4

With 3,3-dimethyldioxirane; In acetone;

DOI:10.3390/toxins9080249