Stigmast-4-en-3-one

Base Information

• Chemical Name: Stigmast-4-en-3-one
• CAS No.: 1058-61-3
• Molecular Formula: C29H48O
• Molecular Weight: 412.7
• DSSTox Substance ID: DTXSID50862519
• Nikkaji Number: J83.547A
• Wikidata: Q27136596
• ChEMBL ID: CHEMBL66926
• Mol file: 1058-61-3.mol

Synonyms:stigmast-4-en-3-one

Chemical Property of Stigmast-4-en-3-one

Chemical Property:

• Vapor Pressure: 2.8E-10mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 503.8 °C at 760 mmHg
• Flash Point: 263.7 °C
• PSA: 17.07000
• Density: 0.97 g/cm³
• LogP: 8.23300
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 412.370516150
• Heavy Atom Count: 30
• Complexity: 674

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sitostenone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
• Isomeric SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(C)C

Technology Process of Stigmast-4-en-3-one

There total 7 articles about Stigmast-4-en-3-one 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: 44.1%

β-sitosterol (83-46-5) → Androsta-1,4-diene-3,17-dione (897-06-3) + 23,24-Bisnorchola-1,4-dien-3-one-22-carboxylic acid (3614-61-7,5327-60-6,66512-12-7,96686-97-4,14508-05-5) + stigmast-4-en-3-one (1058-61-3)

Guidance literature:

With 8-quinolinol; In water; N,N-dimethyl-formamide; for 72h; Myc_. mucosum 3-AP;

DOI:10.1007/BF00759757

Reference yield: 22.0%

β-sitosterol (83-46-5) → Androstenedione (63-05-8) + Androsta-1,4-diene-3,17-dione (897-06-3) + 23,24-Bisnorchola-1,4-dien-3-one-22-carboxylic acid (3614-61-7,5327-60-6,66512-12-7,96686-97-4,14508-05-5) + stigmast-4-en-3-one (1058-61-3)

Guidance literature:

With 8-quinolinol; In water; N,N-dimethyl-formamide; at 27 ℃; for 72h; Product distribution; Myc_. mucosum 3-AP, pH = 7.2 - 7.7; other strains of bacteria, other pH, other temperatures, other inhibitors, other time, different age of bacteria culture, different concentration of substrate;

DOI:10.1007/BF00759757

Reference yield:

β-sitosterol (83-46-5) → stigmast-4-ene-3,6-dione (23670-94-2,23671-20-7) + stigmast-4-en-3-one (1058-61-3)

Guidance literature:

With jones reagent; In acetone; at 20 ℃;

upstream raw materials:

β-sitosterol

Downstream raw materials:

Progesterone

Androstenedione

Stigmastanol

Refernces

• 1、 Aono, Rikizo,Doukyu, Noriyuki. "Stereospecific oxidation of 3β-hydroxysteroids by persolvent fermentation with Pseudomonas sp. ST-200". . p. 1146 - 1151. Retrieved 2007/10/03.