Geranyloxyemodin

Base Information

• Chemical Name: Geranyloxyemodin
• CAS No.: 87605-71-8
• Molecular Formula: C25H26O5
• Molecular Weight: 406.478
• NSC Number: 336244
• DSSTox Substance ID: DTXSID90420955
• Nikkaji Number: J3.053.254F,J258.589H
• Metabolomics Workbench ID: 124765
• ChEMBL ID: CHEMBL1800228

Synonyms:Geranyloxyemodin;87605-71-8;3-Geranyloxyemodin;3'-Geranyloxyemodin;NSC336244;GERAMYLOXYEMODIN;CHEMBL1800228;SCHEMBL16226325;SCHEMBL16226326;DTXSID90420955;3-(3,7-dimethylocta-2,6-dienyloxy)-1,8-dihydroxy-6-methyl-9,10-anthraquinone;NSC-336244;3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1,8-dihydroxy-6-methylanthracene-9,10-dione;1,8-dihydroxy-3-geranyloxy-6-methylanthraquinone;3-geranyloxy-6-methyl-1,8-dihydroxyanthraquinone;3-[[(2E)-3,7-Dimethyl-2,6-octadienyl]oxy]-6-methyl-1,8-dihydroxyanthraquinone

Chemical Property of Geranyloxyemodin

Chemical Property:

• Vapor Pressure: 3.91E-16mmHg at 25°C
• Boiling Point: 623.4°Cat760mmHg
• Flash Point: 213.1°C
• Density: 1.225g/cm³
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 406.17802393
• Heavy Atom Count: 30
• Complexity: 704

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCC=C(C)CCC=C(C)C
• Isomeric SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC/C=C(\C)/CCC=C(C)C

Technology Process of Geranyloxyemodin

There total 1 articles about Geranyloxyemodin 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:

vismione D (87605-72-9) → 1,6,8-trihydroxy-3-methyl-9,10-anthraquinone (518-82-1) + 3-geranyloxy-6-methyl-1,8-dihydroxy-anthraquinone (87605-71-8)

Guidance literature:

In pyridine; for 3h; Ambient temperature;

DOI:10.1016/0031-9422(83)83041-6

Reference yield:

3-geranyloxy-6-methyl-1,8-dihydroxy-anthraquinone (87605-71-8) → 1,6,8-trihydroxy-3-methyl-9,10-anthraquinone (518-82-1)

Guidance literature:

With sulfuric acid; In methanol; for 5h; Heating;

DOI:10.1016/0031-9422(83)83041-6

upstream raw materials:

vismione D

Downstream raw materials:

1,6,8-trihydroxy-3-methyl-9,10-anthraquinone

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