[(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate

Base Information

• Chemical Name: [(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate
• CAS No.: 38673-38-0
• Molecular Formula: C₂₂H₂₈O₃
• Molecular Weight: 340.463
• Mol file: 38673-38-0.mol

Synonyms:[(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate;19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-;19-Norpregn-4-en-20-yn-3-one, 17-hydroxy-, acetate;19-Norpregnan-4-en-20-yn-3-one, 17-hydroxy-, acetate

Chemical Property of [(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate

Chemical Property:

• Melting Point: 162 - 165 °C
• Boiling Point: 454.7°Cat760mmHg
• Flash Point: 197.1°C
• PSA: 43.37000
• Density: 1.14g/cm³
• LogP: 4.06330
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 468.25118886
• Heavy Atom Count: 34
• Complexity: 982

Purity/Quality:

99% ^*data from raw suppliers

17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(CCC34)OC(=O)C)C)C#C)OC(=O)C
• Isomeric SMILES: C/C(=C/C(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@H]34)OC(=O)C)C)C#C)/OC(=O)C

Technology Process of [(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate

There total 4 articles about [(3S,8R,9S,10R,13S,14S,17S)-3-Acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] (Z)-3-acetyloxybut-2-enoate 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-17α-ethinyl-19-nor-androst-4-en-3-on (51-98-9,23944-78-7,23944-79-8,38673-38-0)

Guidance literature:

Enolacetat;

Reference yield:

→ norethisterone acetate (51-98-9,23944-78-7,23944-79-8,38673-38-0)

Guidance literature:

Aus 17α-Ethinyl-19-nortestosteron;

Reference yield:

→ 17β-Acetoxy-17α-aethinyl-4-oestren-3-on (51-98-9,23944-78-7,23944-79-8,38673-38-0)

Guidance literature:

17α-Aethinyl-19-nor-testosteron V, Ac2O/Py;