Plumieride

Base Information

• Chemical Name: Plumieride
• CAS No.: 511-89-7
• Molecular Formula: C21H26 O12
• Molecular Weight: 470.43
• UNII: 71A048XW8V
• DSSTox Substance ID: DTXSID40199109
• Nikkaji Number: J13.997A
• Wikidata: Q27108027
• Metabolomics Workbench ID: 67875
• ChEMBL ID: CHEMBL464470
• Mol file: 511-89-7.mol

Synonyms:plumieride

Chemical Property of Plumieride

Chemical Property:

• Melting Point: 156-158°; mp 224-225°
• Boiling Point: 771.4°Cat760mmHg
• PKA: 12.79±0.70(Predicted)
• Flash Point: 269.2°C
• PSA: 181.44000
• Density: 1.59g/cm³
• LogP: -2.37890
• Storage Temp.: ?20°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 470.14242626
• Heavy Atom Count: 33
• Complexity: 896

Purity/Quality:

98%min ^*data from raw suppliers

Plumieride ≥95% (LC/MS-ELSD) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)O
• Isomeric SMILES: C[C@@H](C1=C[C@@]2(C=C[C@H]3[C@@H]2[C@@H](OC=C3C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)O

Technology Process of Plumieride

There total 5 articles about Plumieride 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:

protoplumericin (80396-57-2,86333-77-9,87508-80-3) → p-Coumaric Acid (7400-08-0,50940-26-6) + plumericin (77-16-7,31298-76-7,87037-55-6,103064-61-5) + plumieride (511-89-7,118245-11-7,118246-65-4)

Guidance literature:

With water; β-glucosidase; for 1h;

DOI:10.1248/cpb.29.3051

Reference yield:

plumeride coumarate → D-Glucose (2280-44-6) + para-coumaric acid (7400-08-0,50940-26-6) + plumieride (511-89-7)

Guidance literature:

With sulfuric acid; for 2h; Heating;

DOI:10.1016/S0031-9422(00)80083-7

Reference yield:

C37H44O20 → 4-O-β-D-glucopyranosyl-(E)-ferulic acid methyl ester (94393-06-3) + plumieride (511-89-7)

Guidance literature:

With sodium methylate; In methanol; for 4h; Ambient temperature;

upstream raw materials:

protoplumericin

Downstream raw materials:

C₂₈H₃₀O₁₂

(4aS,7R)-1c-β-D-glucopyranosyloxy-4'-((S)-1-hydroxy-ethyl)-5'-oxo-(4ar,7ac)-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylic acid

C₃₄H₃₆O₁₅

4'-O-hydroxy-6'-O-benzylidene triacetate plumieride