Sarmentologenin

Base Information

• Chemical Name: Sarmentologenin
• CAS No.: 6785-68-8
• Molecular Formula: C23H34O7
• Molecular Weight: 422.5119
• Metabolomics Workbench ID: 65824
• Nikkaji Number: J72.660E

Synonyms:Sarmentologenin;(3beta,5beta,11alpha)-3,5,11,14,19-pentahydroxycard-20(22)-enolide;CHEBI:71625;NS00093755;3-[(3S,5S,8R,9S,10R,11R,13R,14S,17R)-3,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Chemical Property of Sarmentologenin

Chemical Property:

• Vapor Pressure: 6.55E-21mmHg at 25°C
• Boiling Point: 671.6°C at 760 mmHg
• Flash Point: 232.3°C
• Density: 1.45g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 422.23045342
• Heavy Atom Count: 30
• Complexity: 782

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(C3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)CO)O)O
• Isomeric SMILES: C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)CO)O)O

Technology Process of Sarmentologenin

There total 16 articles about Sarmentologenin 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: 83.0%

C44H86O7Si5 → sarmentologenin (6785-68-8)

Guidance literature:

With hydrogenchloride; methanol; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jacs.8b12870

Reference yield:

C19H28O6 → sarmentologenin (6785-68-8)

Guidance literature:

Multi-step reaction with 13 steps

1.1: 2,6-dimethylpyridine / dichloromethane; tetrahydrofuran / 0.08 h / 20 °C / Inert atmosphere

2.1: sodium hydroxide; diphenyl diselenide; N-acetylcystein / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere

3.1: Dess-Martin periodane; pyridine / dichloromethane / 2 h / 20 °C / Inert atmosphere

4.1: tetrahydrofuran / 0.75 h / -78 °C / Inert atmosphere

5.1: triethylamine / dichloromethane / 1 h / -78 - -20 °C / Inert atmosphere

6.1: lithium; ammonia / tetrahydrofuran / 0.25 h / -78 °C

7.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.08 h / -78 °C / Inert atmosphere

8.1: triethylamine; hydrazine hydrate / ethanol / 6 h / 50 °C / Inert atmosphere

9.1: triethylamine; iodine / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

10.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(l) chloride; lithium chloride / dimethyl sulfoxide / 1 h / 50 °C / Inert atmosphere

11.1: 2,6-dimethylpyridine / dichloromethane / 1 h / -78 - 20 °C / Inert atmosphere

11.2: 9 h / 20 °C

12.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 20 °C

13.1: hydrogenchloride; methanol / 0.5 h / 20 °C / Inert atmosphere

With pyridine; 2,6-dimethylpyridine; hydrogenchloride; methanol; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-acetylcystein; diphenyl diselenide; palladium 10% on activated carbon; tetrabutyl ammonium fluoride; ammonia; hydrogen; iodine; lithium; Dess-Martin periodane; hydrazine hydrate; triethylamine; copper(l) chloride; lithium chloride; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; 10.1: |Stille Cross Coupling;

DOI:10.1021/jacs.8b12870

Reference yield:

C28H48O6Si → sarmentologenin (6785-68-8)

Guidance literature:

Multi-step reaction with 12 steps

1.1: sodium hydroxide; diphenyl diselenide; N-acetylcystein / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere

2.1: Dess-Martin periodane; pyridine / dichloromethane / 2 h / 20 °C / Inert atmosphere

3.1: tetrahydrofuran / 0.75 h / -78 °C / Inert atmosphere

4.1: triethylamine / dichloromethane / 1 h / -78 - -20 °C / Inert atmosphere

5.1: lithium; ammonia / tetrahydrofuran / 0.25 h / -78 °C

6.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.08 h / -78 °C / Inert atmosphere

7.1: triethylamine; hydrazine hydrate / ethanol / 6 h / 50 °C / Inert atmosphere

8.1: triethylamine; iodine / tetrahydrofuran / 1 h / 20 °C / Inert atmosphere

9.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; copper(l) chloride; lithium chloride / dimethyl sulfoxide / 1 h / 50 °C / Inert atmosphere

10.1: 2,6-dimethylpyridine / dichloromethane / 1 h / -78 - 20 °C / Inert atmosphere

10.2: 9 h / 20 °C

11.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 20 °C

12.1: hydrogenchloride; methanol / 0.5 h / 20 °C / Inert atmosphere

With pyridine; 2,6-dimethylpyridine; hydrogenchloride; methanol; tetrakis(triphenylphosphine) palladium⁽⁰⁾; N-acetylcystein; diphenyl diselenide; palladium 10% on activated carbon; tetrabutyl ammonium fluoride; ammonia; hydrogen; iodine; lithium; Dess-Martin periodane; hydrazine hydrate; triethylamine; copper(l) chloride; lithium chloride; sodium hydroxide; In tetrahydrofuran; ethanol; dichloromethane; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; 9.1: |Stille Cross Coupling;

DOI:10.1021/jacs.8b12870

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