Gentiacaulein

Base Information

• Chemical Name: Gentiacaulein
• CAS No.: 15402-27-4
• Molecular Formula: C₁₅H₁₂O₆
• Molecular Weight: 288.257
• Hs Code.: 2932999099
• ChEMBL ID: CHEMBL467590
• DSSTox Substance ID: DTXSID10415161
• Metabolomics Workbench ID: 70365
• Nikkaji Number: J14.321I
• NSC Number: 661743
• Wikidata: Q27106712
• Mol file: 15402-27-4.mol

Synonyms:gentiacaulein

Chemical Property of Gentiacaulein

Chemical Property:

• Vapor Pressure: 1.51E-12mmHg at 25°C
• Boiling Point: 546.3°Cat760mmHg
• Flash Point: 210.6°C
• PSA: 89.13000
• Density: 1.452g/cm³
• LogP: 2.37460
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 288.06338810
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC3=C(C2=O)C(=C(C=C3)O)OC)O

Technology Process of Gentiacaulein

There total 3 articles about Gentiacaulein 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:

→ gentiacaulein (15402-27-4)

Guidance literature:

With sulfuric acid;

Reference yield:

7-β-D-Glucopyranosyloxy-1-hydroxy-3,8-dimethyoxyxanthone (139906-88-0) → gentiacaulein (15402-27-4)

Guidance literature:

With hydrogen cation;

DOI:10.1007/BF00629774

Reference yield:

→ gentiacaulein (15402-27-4)

Guidance literature:

VI, Saeure;

DOI:10.1002/hlca.19740570204

upstream raw materials:

7-β-D-Glucopyranosyloxy-1-hydroxy-3,8-dimethyoxyxanthone