[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Base Information

• Chemical Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• CAS No.: 1491-95-8
• Molecular Formula: C₂₇H₄₆O₄S
• Molecular Weight: 466.726
• DSSTox Substance ID: DTXSID70401323,DTXSID30862613
• Mol file: 1491-95-8.mol

Synonyms:1491-95-8;[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;ST 27:1;O;S;DTXSID30862613;DTXSID70401323;FT-0775146;(3S,8S,9S,10R,13R,14S,17R)-10,13-DIMETHYL-17-[(2R)-6-METHYLHEPTAN-2-YL]-3-SULFOOXY-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE

Chemical Property of [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 71.98000
• Density: 1.12g/cm³
• LogP: 8.29660
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 466.31168112
• Heavy Atom Count: 32
• Complexity: 812

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C

Technology Process of [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

There total 3 articles about [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen 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: 92.4%

cholesterol (57-88-5) → cholesterol 3-sulfate (1256-86-6,1491-95-8)

Guidance literature:

With aminosulfonic acid; In N,N-dimethyl-formamide; at 68 ℃; for 2h; Temperature; Solvent;

Reference yield:

→ cholesterol 3-sulfate (1256-86-6,1491-95-8)

Guidance literature:

With pyridine; triethylamine/sulphur trioxide complex; at 20 ℃; for 2h;

Reference yield:

→ Cholesterylsulfat (1256-86-6,1491-95-8)

Guidance literature:

Cholesterin, SO3/Py.;

upstream raw materials:

cholesterol