Ccris 1295

Base Information

• Chemical Name: Ccris 1295
• CAS No.: 65831-43-8
• Molecular Formula: C₂₁H₁₈O₃
• Molecular Weight: 318.372
• DSSTox Substance ID: DTXSID10984327
• Wikidata: Q82971522
• Mol file: 65831-43-8.mol

Synonyms:65831-43-8;1,9,10-Trihydroxy-9,10-dihydro-3-methylcholanthrene (1-alpha,9-alpha,10-beta);CCRIS 1295;DTXSID10984327;3-Methyl-1,2,9,10-tetrahydrocyclopenta[ij]tetraphene-1,9,10-triol;Benz(j)aceanthrylene-1,9,10-triol, 1,2,9,10-tetrahydro-3-methyl-, (1alpha,9alpha,10beta)-

Chemical Property of Ccris 1295

Chemical Property:

• Vapor Pressure: 1.72E-17mmHg at 25°C
• Boiling Point: 644.5°Cat760mmHg
• PKA: 13.33±0.60(Predicted)
• Flash Point: 308.3°C
• PSA: 60.69000
• Density: 1.471g/cm³
• LogP: 3.31200
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 318.125594432
• Heavy Atom Count: 24
• Complexity: 531

Purity/Quality:

1,9,10-TRIHYDROXY-9,10-DIHYDRO-3-METHYLCHOLANTHRENE (1-ALPHA,9-ALPHA,1 0-BETA) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2CC(C3=C2C(=CC4=C3C=CC5=C4C=CC(C5O)O)C=C1)O
• Isomeric SMILES: CC1=C2C[C@H](C3=C2C(=CC4=C3C=CC5=C4C=C[C@@H]([C@H]5O)O)C=C1)O

Technology Process of Ccris 1295

There total 2 articles about Ccris 1295 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:

→ (1R,9S,10S)-3-Methyl-1,2,9,10-tetrahydro-benzo[j]aceanthrylene-1,9,10-triol (65799-05-5,65831-43-8,68780-95-0)

Guidance literature:

3-Methylcholanthren, Monooxygenase;

DOI:10.1021/ja00470a057

Reference yield:

→ (1S,9S,10S)-3-Methyl-1,2,9,10-tetrahydro-benzo[j]aceanthrylene-1,9,10-triol (65799-05-5,65831-43-8,68780-95-0)

Guidance literature:

3-Methylcholanthren, Monooxygenase;

DOI:10.1021/ja00470a057