Shanzhiside-methylester

Base Information

• Chemical Name: Shanzhiside-methylester
• CAS No.: 64421-28-9
• Molecular Formula: C17H26O11
• Molecular Weight: 406.387
• Hs Code.: 29389090
• DSSTox Substance ID: DTXSID20982995
• Wikidata: Q72507460

Synonyms:64421-28-9;Shanziside methyl ester;Shanzhizide methyl ester;Shanzhiside-methylester;DTXSID20982995;Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-;Methyl 1-(hexopyranosyloxy)-5,7-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Chemical Property of Shanzhiside-methylester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 90 °C (dec.)
• Refractive Index: 1.621
• Boiling Point: 651.373 °C at 760 mmHg
• PKA: 12.80±0.70(Predicted)
• Flash Point: 233.014 °C
• PSA: 175.37000
• Density: 1.581 g/cm³
• LogP: -3.03590
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 406.14751164
• Heavy Atom Count: 28
• Complexity: 624

Purity/Quality:

99%, ^*data from raw suppliers

Shanzhiside methylester ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(C2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)O
• Isomeric SMILES: C[C@@]1(C[C@H](C2C1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
• Uses: Shanzhiside Methyl Ester displays mild monoamine oxidase inhibition.

Technology Process of Shanzhiside-methylester

There total 5 articles about Shanzhiside-methylester 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 6-O-syringyl-8-O-acetyl shanzhiside methyl ester (86450-76-2) → methyl syringate (884-35-5) + shanzhiside methyl ester (64421-28-9)

Guidance literature:

With sodium hydroxide; Multistep reaction; 1.) methanol, room temperature, 4 d;

DOI:10.1248/cpb.33.4275

Reference yield:

6-O-[(E)-4-O-(threo-β-syringylglyceryl)sinapoyl]-8-O-acetylshanzhiside methyl ester → shanzhiside methyl ester (64421-28-9)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/j.phytochem.2018.06.003

Reference yield:

6-O-vanilloyl-8-O-acetyl-shanzhiside methyl ester → shanzhiside methyl ester (64421-28-9)

Guidance literature:

With sodium hydroxide; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/j.phytochem.2018.06.003

upstream raw materials:

diazomethane

6-O-syringyl-8-O-acetyl shanzhiside methyl ester

barlerin

Downstream raw materials:

(1S,4aS,5R,7S,7aS)-5,7-Dihydroxy-7-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-trityloxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydro-cyclopenta[c]pyran-4-carboxylic acid methyl ester

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