CID 6154064

Base Information

• Chemical Name: CID 6154064
• CAS No.: 53662-98-9
• Molecular Formula: C28H34O11
• Molecular Weight: 546.563
• NSC Number: 238178
• DSSTox Substance ID: DTXSID40422121
• Mol file: 53662-98-9.mol

Synonyms:DEHYDROBRUCEANTIN;53662-98-9;methyl 3-[(E)-3,4-dimethylpent-2-enoyl]oxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate;DTXSID40422121;NSC238178;NSC-238178

Chemical Property of CID 6154064

Chemical Property:

• Vapor Pressure: 1.04E-25mmHg at 25°C
• Boiling Point: 746.3°Cat760mmHg
• Flash Point: 245.8°C
• PSA: 165.89000
• Density: 1.43g/cm³
• LogP: 1.07320
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 546.21011190
• Heavy Atom Count: 39
• Complexity: 1260

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(C(C(C5C2(C=C(C1=O)O)C)O)O)C(=O)OC
• Isomeric SMILES: CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(C(C(C5C2(C=C(C1=O)O)C)O)O)C(=O)OC

Technology Process of CID 6154064

There total 1 articles about CID 6154064 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:

→ dehydrobruceantin (53662-98-9)

Guidance literature:

DOI:10.1021/jo00893a023 DOI:10.1021/jo00893a023