(17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-1,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene

Base Information

• Chemical Name: (17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-1,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene
• CAS No.: 80382-28-1
• Molecular Formula: C₂₉H₃₈
• Molecular Weight: 386.621
• DSSTox Substance ID: DTXSID701001206
• Wikidata: Q82995039
• Mol file: 80382-28-1.mol

Synonyms:80382-28-1;(17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-1,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene;18,19-Dinorstigmasta-1,3,5,7,9,11,13-heptaene, 1,17-dimethyl-, (17alpha)-;DTXSID701001206;C29-H38;17-(5-Ethyl-6-methylheptan-2-yl)-1,17-dimethylgona-1(10),2,4,6,8(14),9(11),12-heptaene

Chemical Property of (17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-1,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene

Chemical Property:

• Vapor Pressure: 4.28E-10mmHg at 25°C
• Boiling Point: 512.1°Cat760mmHg
• Flash Point: 265.4°C
• PSA: 0.00000
• Density: 0.991g/cm³
• LogP: 8.60380
• XLogP3: 10.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 386.297351212
• Heavy Atom Count: 29
• Complexity: 534

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCC(C)C1(CCC2=C1C=CC3=C2C=CC4=CC=CC(=C43)C)C)C(C)C
• Isomeric SMILES: CC[C@H](CC[C@@H](C)[C@]1(CCC2=C1C=CC3=C2C=CC4=CC=CC(=C43)C)C)C(C)C

Technology Process of (17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-1,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene

There total 2 articles about (17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-1,17-dimethyl-15,16-dihydrocyclopenta[a]phenanthrene 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:

β-sitosterol (83-46-5) → (S)-17-((1R,4R)-4-Ethyl-1,5-dimethyl-hexyl)-1,17-dimethyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene (80382-28-1)

Guidance literature:

Multi-step reaction with 2 steps

1: chloranil / xylene / reflux

2: H₂ / Pd/C

With hydrogen; chloranil; palladium on activated charcoal; In xylene;

DOI:10.1016/S0040-4039(01)81893-1

Reference yield:

(R)-17-((1R,4R)-4-Ethyl-1,5-dimethyl-hexyl)-1,17-dimethyl-17H-cyclopenta[a]phenanthrene → (S)-17-((1R,4R)-4-Ethyl-1,5-dimethyl-hexyl)-1,17-dimethyl-16,17-dihydro-15H-cyclopenta[a]phenanthrene (80382-28-1)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/S0040-4039(01)81893-1

upstream raw materials:

β-sitosterol