Androstane-3,17-diol 17-sulfate

Base Information

• Chemical Name: Androstane-3,17-diol 17-sulfate
• CAS No.: 24869-99-6
• Molecular Formula: C₁₉H₃₂O₅S
• Molecular Weight: 372.526
• DSSTox Substance ID: DTXSID60947765
• Mol file: 24869-99-6.mol

Synonyms:AD sulfate;androstane-3,17-diol 17-sulfate;androstane-3,17-diol 17-sulfate, (3beta, 5alpha, 17beta)-isomer;androstane-3,17-diol 17-sulphate

Chemical Property of Androstane-3,17-diol 17-sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 92.21000
• Density: 1.28g/cm³
• LogP: 4.65880
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 372.19704529
• Heavy Atom Count: 25
• Complexity: 628

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4OS(=O)(=O)O)C)O
• Isomeric SMILES: C[C@]12CCC(CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4OS(=O)(=O)O)C)O

Technology Process of Androstane-3,17-diol 17-sulfate

There total 2 articles about Androstane-3,17-diol 17-sulfate 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:

5α-androstan-17β-ol-3-one-17-sulfate (2641-48-7,20448-84-4) → 3α-hydroxy-5α-androstane-17β-sulfate (24869-99-6)

Guidance literature:

With potassium phosphate; recombinant human aldo-keto reductase 1C₂; NADPH; In methanol; at 37 ℃; pH=7; Concentration; stereoselective reaction; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.jsbmb.2010.01.005

Reference yield:

5α-androstan-17β-ol-3-one-17-sulfate (2641-48-7,20448-84-4) → 3α-hydroxy-5α-androstane-17β-sulfate (24869-99-6) + 3β-hydroxy-5α-androstane-17β-sulfate (54800-09-8)

Guidance literature:

With potassium phosphate; recombinant human aldo-keto reductase 1C₄; NADPH; In methanol; at 37 ℃; pH=7; Reagent/catalyst; Concentration; stereoselective reaction; Kinetics; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.jsbmb.2010.01.005

upstream raw materials:

5α-androstan-17β-ol-3-one-17-sulfate

Refernces