1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione

Base Information

• Chemical Name: 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione
• CAS No.: 6947-44-0
• Molecular Formula: C19H26O3S2
• Molecular Weight: 366.5379
• UNII: MRR4186RWA
• Nikkaji Number: J2.794.327F
• NSC Number: 56955
• Wikidata: Q27149041
• Mol file: 6947-44-0.mol

Synonyms:6947-44-0;1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione;MRR4186RWA;NSC-56955;UNII-MRR4186RWA;(1R,4R,5S,10S,13S,14S,15S)-10,14-dimethyl-9-oxa-19,20-dithiapentacyclo[13.3.2.01,14.04,13.05,10]icosane-8,17-dione;17alpha-Oxa-D-homoandrostan-3,17-dione, 1alpha,5alpha-epidithio-;1alpha,5-Epidithio-13-hydroxy-3-oxo-13,17-seco-5alpha-androstan-17-oic acid delta-lactone;13,17-Seco-5alpha-androstan-17-oic acid, 1alpha,5-epidithio-13-hydroxy-3-oxo-, delta-lactone;1-.alpha.,17-dione;4,5-epidithiotestololactone;CHEBI:79891;NSC56955;Q27149041;17.ALPHA.-OXA-D-HOMOANDROSTAN-3,17-DIONE, 1.ALPHA.,5.ALPHA.-EPIDITHIO-;1.ALPHA.,5-EPIDITHIO-13-HYDROXY-3-OXO-13,17-SECO-5.ALPHA.-ANDROSTAN-17-OIC ACID .DELTA.-LACTONE;13,17-SECO-5.ALPHA.-ANDROSTAN-17-OIC ACID, 1.ALPHA.,5-EPIDITHIO-13-HYDROXY-3-OXO-, .DELTA.-LACTONE

Chemical Property of 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione

Chemical Property:

• Vapor Pressure: 6.78E-12mmHg at 25°C
• Boiling Point: 544°C at 760 mmHg
• Flash Point: 276.8°C
• Density: 1.31g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 366.13233703
• Heavy Atom Count: 24
• Complexity: 622

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC(=O)O2)CCC45C3(C(CC(=O)C4)SS5)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)O2)CC[C@]45[C@@]3([C@H](CC(=O)C4)SS5)C

Technology Process of 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione

There total 1 articles about 1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione 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:

testolactone (968-93-4) → 1α,5-disulfanediyl-17a-oxa-D-homo-5α-androstane-3,17-dione (6947-44-0)

Guidance literature:

With piperidine; pyridine; hydrogen sulfide;

DOI:10.1021/ja01525a075

upstream raw materials:

testolactone