beta-Estradiol 17-(beta-D-glucuronide) sodium salt

Base Information

• Chemical Name: beta-Estradiol 17-(beta-D-glucuronide) sodium salt
• CAS No.: 15087-02-2
• Molecular Formula: C₂₄H₃₁O₈*Na
• Molecular Weight: 470.495
• Hs Code.: 2938909090
• DSSTox Substance ID: DTXSID20585142
• Mol file: 15087-02-2.mol

Synonyms:beta-Estradiol 17-(beta-D-glucuronide) sodium salt;DTXSID20585142;PUBCHEM_16219299;E217G;beta -Estradiol 17-( beta -D-glucuronide) sodium salt;1,3,5[10]-ESTRATRIENE-3,17BETA-DIOL 17-GLUCURONIDE SODIUM SALT

Chemical Property of beta-Estradiol 17-(beta-D-glucuronide) sodium salt

Chemical Property:

• PSA: 136.68000
• LogP: 1.63820
• Storage Temp.: −20°C
• Solubility.: DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated), Methanol (Slightly)
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 471.19948726
• Heavy Atom Count: 33
• Complexity: 716

Purity/Quality:

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

β-Estradiol 17-(β-D-glucuronide) sodium salt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O.[Na]
• Uses: β-Estradiol 17-(β-D-glucuronide) sodium salt has been used as a standard to determine the quantity of β-Estradiol 17-(β-D-glucuronide) during UDP-glucuronosyltransferase assay. It has also been used as a constituent of modified synthetic oviduct fluid (m-SOF) for maturation of bovine cumulus oocyte complexes (COC).

Technology Process of beta-Estradiol 17-(beta-D-glucuronide) sodium salt

There total 5 articles about beta-Estradiol 17-(beta-D-glucuronide) sodium salt 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: 44.0%

methyl 3-hydroxyestra-1,3,5(10)-trien-17β-yl-2,3,4-tri-O-acetyl-β-D-glucopyranosuronate (14364-66-0) → estradiol-17β 17-(β-D-glucuronide) sodium salt (15087-02-2)

Guidance literature:

With sodium hydroxide; In methanol; Ambient temperature;

Reference yield:

2,4-dibromoestradiol (19590-55-7) → estradiol-17β 17-(β-D-glucuronide) sodium salt (15087-02-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / Ag₂CO₃ / benzene / 48 h / Ambient temperature

2: 83 percent / NaBH₄, PdCl₂ / methanol / 2 h / 0 °C

3: 44 percent / aq. 2M NaOH / methanol / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; silver carbonate; palladium dichloride; In methanol; benzene;

Reference yield:

methyl 2,4-dibromo-3-hydroxyestra-1,3,5(10)-trien-17β-yl-2,3,4-tri-O-acetyl-β-D-glucopyranosuronate (86030-37-7) → estradiol-17β 17-(β-D-glucuronide) sodium salt (15087-02-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / NaBH₄, PdCl₂ / methanol / 2 h / 0 °C

2: 44 percent / aq. 2M NaOH / methanol / Ambient temperature

With sodium hydroxide; sodium tetrahydroborate; palladium dichloride; In methanol;

upstream raw materials:

methyl 3-hydroxyestra-1,3,5(10)-trien-17β-yl-2,3,4-tri-O-acetyl-β-D-glucopyranosuronate

2,4-dibromoestradiol

methyl 2,4-dibromo-3-hydroxyestra-1,3,5(10)-trien-17β-yl-2,3,4-tri-O-acetyl-β-D-glucopyranosuronate

1-bromo-2,3,4-tri-O-acetyl-α-D-glucuronic acid methyl ester

Downstream raw materials:

2,4-dibromoestradiol

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