17-Hydroxypregnenolone 3-sulfate

Base Information

• Chemical Name: 17-Hydroxypregnenolone 3-sulfate
• CAS No.: 2477-77-2
• Molecular Formula: C21H32O6S
• Molecular Weight: 412.547
• DSSTox Substance ID: DTXSID001301045
• Nikkaji Number: J487.484F
• Wikidata: Q27161651
• Mol file: 2477-77-2.mol

Synonyms:17 alpha-hydroxypregnenolone sulfate;17-hydroxypregnenolone 3-sulfate;17-hydroxypregnenolone sulfate

Chemical Property of 17-Hydroxypregnenolone 3-sulfate

Chemical Property:

• Refractive Index: 1.583
• PKA: -3.51±0.18(Predicted)
• PSA: 109.28000
• Density: 1.32 g/cm³
• LogP: 4.53810
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 412.19195991
• Heavy Atom Count: 28
• Complexity: 813

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C)O
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C)O

Technology Process of 17-Hydroxypregnenolone 3-sulfate

There total 1 articles about 17-Hydroxypregnenolone 3-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:

17-Hydroxypregnenolone (387-79-1) → 17-Hydroxypregnenolone 3-sulfate (2477-77-2)

Guidance literature:

With sulfur trioxide; triethylamine;

DOI:10.1016/S0039-128X(68)80079-0

upstream raw materials:

17-Hydroxypregnenolone

Refernces