17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one

Base Information

• Chemical Name: 17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one
• CAS No.: 6945-90-0
• Molecular Formula: C₂₁H₃₄O₃
• Molecular Weight: 334.499
• NSC Number: 53037
• Nikkaji Number: J2.791.428D
• Wikidata: Q27148586
• ChEMBL ID: CHEMBL486908
• Mol file: 6945-90-0.mol

Synonyms:17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one;6945-90-0;CHEBI:79502;(2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(methoxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;CHEMBL486908;NSC53037;NSC-53037;Q27148586

Chemical Property of 17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one

Chemical Property:

• Vapor Pressure: 8.44E-10mmHg at 25°C
• Boiling Point: 445.3°C at 760 mmHg
• Flash Point: 148.7°C
• PSA: 46.53000
• Density: 1.073g/cm³
• LogP: 3.83160
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 334.25079494
• Heavy Atom Count: 24
• Complexity: 517

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4C3(CC(C(=O)C4)COC)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)COC)C

Technology Process of 17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one

There total 2 articles about 17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-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:

→ 17β-Hydroxy-2α-methoxymethyl-5α-androstan-3-on (6945-90-0)

Guidance literature:

17β-Hydroxy-2-methoxymethylen-5α-androstan-3-on, durch Hydrierung an Pd/C, wss. MeOH;

Reference yield:

→ (2S,10S,13S,17S)-17-Hydroxy-2-methoxymethyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one (6945-90-0)

Guidance literature: