Coproergostane

Base Information

• Chemical Name: Coproergostane
• CAS No.: 511-21-7
• Molecular Formula: C28H50
• Molecular Weight: 386.6966
• UNII: 527S1622ZG
• Nikkaji Number: J6.264B
• Wikidata: Q27109334
• Metabolomics Workbench ID: 53790
• Mol file: 511-21-7.mol

Synonyms:Coproergostane;Pseudoergostane;Coproergostane [MI];beta-Ergostane;5beta-ergostane;Ergostane, (5beta)-;511-21-7;UNII-527S1622ZG;527S1622ZG;(5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;.BETA.-ERGOSTANE;CHEBI:20669;ERGOSTANE, (5.BETA.)-;Q27109334

Chemical Property of Coproergostane

Chemical Property:

• Vapor Pressure: 6.79E-08mmHg at 25°C
• Melting Point: 64°
• Refractive Index: 1.8780 (estimate)
• Boiling Point: 450.9°C at 760 mmHg
• Flash Point: 216.5°C
• PSA: 0.00000
• Density: 0.907g/cm³
• LogP: 8.74380
• XLogP3: 11.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 386.391251595
• Heavy Atom Count: 28
• Complexity: 534

Purity/Quality:

COPROERGOSTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C
• Isomeric SMILES: C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C

Technology Process of Coproergostane

There total 4 articles about Coproergostane 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,9α-Lumistan (511-20-6,511-21-7,6538-00-7,6538-01-8,25318-39-2,25342-89-6,50897-35-3,58717-96-7,58917-69-4,59042-22-7,67069-19-6,67069-20-9,67069-21-0,71117-88-9,71117-89-0,71117-90-3,78392-18-4,79200-49-0,87037-19-2,87067-93-4,87067-94-5,99664-76-3,99664-77-4,101834-36-0,101834-37-1,101834-38-2,105215-10-9,105307-59-3,105307-60-6,105308-42-7,105498-21-3,105498-23-5,105498-24-6)

Guidance literature:

5α,9α-Lumistanon-(3), Huang-Minglon-Red.;

Reference yield:

5β-ergost-22t-en-3-one (18865-44-6) → 5β-Ergostan (511-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄*H₂O, KOH, HOCH₂CH₂OH / ethanol / Heating

2: H₂ / PtO₂

With potassium hydroxide; hydrogen; hydrazine hydrate; ethylene glycol; platinum(IV) oxide; In ethanol;

Reference yield:

5β-Ergost-22-en (64110-85-6) → 5β-Ergostan (511-21-7)

Guidance literature:

With hydrogen; platinum(IV) oxide;

upstream raw materials:

24-methyl-5β-cholan-24-one

isopropylmagnesium bromide

5β-Ergost-22-en

5β-ergost-22t-en-3-one