Pregnane-3,20-diol 3,20-disulfate

Base Information

• Chemical Name: Pregnane-3,20-diol 3,20-disulfate
• CAS No.: 27935-53-1
• Molecular Formula: C₂₁H₃₆O₈S₂
• Molecular Weight: 480.644
• DSSTox Substance ID: DTXSID70950624
• Wikidata: Q82928747
• Metabolomics Workbench ID: 199332
• Mol file: 27935-53-1.mol

Synonyms:5 alpha-pregnane-3 beta,20 alpha-diol 3,20-disulfate;5alpha-pregnane-3beta,20 beta-diol 3,20-disulphate;pregnane-3,20-diol 3,20-disulfate;pregnane-3,20-diol 3,20-disulfate, (3alpha,5alpha,20S)-isomer;pregnane-3,20-diol 3,20-disulfate, (3alpha,5beta,20S)-isomer

Chemical Property of Pregnane-3,20-diol 3,20-disulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 143.96000
• Density: 1.37g/cm³
• LogP: 6.20280
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 480.18516045
• Heavy Atom Count: 31
• Complexity: 891

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C)OS(=O)(=O)O
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C)OS(=O)(=O)O

Technology Process of Pregnane-3,20-diol 3,20-disulfate

There total 2 articles about Pregnane-3,20-diol 3,20-disulfate 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-Pregnan-3,20-disulfat (21152-50-1,21152-51-2,27935-53-1,89946-38-3,91175-97-2,106300-16-7)

Guidance literature:

3,20-Dihydroxypregnan VI, SO3/Pyridin;

Reference yield:

→ 3α,20α-Disulfooxy-5β-pregnan (21152-50-1,21152-51-2,27935-53-1,89946-38-3,91175-97-2,106300-16-7)

Guidance literature:

3α,20α-Dihydroxy-5β-pregnan, Chlorsulfonsaeure (Ueberschuss) in Py.;

DOI:10.1039/j39690001858

Refernces