Epiandrosterone Glucuronide

Base Information

• Chemical Name: Epiandrosterone Glucuronide
• CAS No.: 4271-00-5
• Molecular Formula: C₂₅H₃₈O₈
• Molecular Weight: 466.572
• DSSTox Substance ID: DTXSID10437848
• Nikkaji Number: J91.786I
• Mol file: 4271-00-5.mol

Synonyms:Epiandrosterone Glucuronide;4271-00-5;(2S,3S,4S,5R,6R)-6-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;Epi androsterone-beta-glucuronide;DTXSID10437848;Etiocholanolone-3beta-glucuronoside;AKOS037645607;AS-6170;21085-78-9;5alpha-Androstan-3beta-ol-17-one glucosiduronate

Chemical Property of Epiandrosterone Glucuronide

Chemical Property:

• Boiling Point: 656.1±55.0 °C(Predicted)
• PKA: 2.82±0.70(Predicted)
• PSA: 133.52000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 1.87560
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 466.25666817
• Heavy Atom Count: 33
• Complexity: 801

Purity/Quality:

99% ^*data from raw suppliers

Epiandrosterone b-D-glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
• Uses: A C19-steroid metabolite of the androgen Epi Andesterone (E578000).

Technology Process of Epiandrosterone Glucuronide

There total 8 articles about Epiandrosterone Glucuronide 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: 84.0%

Epiandrosterone (481-29-8) + α-D-glucuronyl fluoride (777038-38-7) → Epiandrosterone glucuronide (4271-00-5)

Guidance literature:

With Escherichia coli β-glucuronidase E504G mutant; In aq. phosphate buffer; tert-butyl alcohol; at 37 ℃; for 48h; pH=7.5; Enzymatic reaction;

DOI:10.1039/c4ob00984c

Reference yield:

→ 1-<17-Oxo-5β-androstan-3α-yl>-β-D-glucopyranosid-uronsaeure (1852-43-3,3602-09-3,4271-00-5,4271-02-7,7586-31-4,10144-87-3)

Guidance literature:

<1-(17-Oxo-5β-androstan-3α-yl)-2,3,4-tri-O-acetyl-β-D-glucosid>-uronsaeuremethylester in sd. wss.-methanol. NaOH;

Reference yield:

→ (2S,3S,4S,5R,6R)-6-((3S,5R,10S,13S)-10,13-Dimethyl-17-oxo-hexadecahydro-cyclopenta[a]phenanthren-3-yloxy)-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid (1852-43-3,3602-09-3,4271-00-5,4271-02-7,7586-31-4,10144-87-3)

Guidance literature:

3β-Hydroxy-5β-androstan-17-on, 1) Bromtriacetylglucuronsaeuremethylester i.Ggw. v. Ag2CO3, 2) ethanol.KOH;

upstream raw materials:

Epiandrosterone

α-D-glucuronyl fluoride

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