Pteroside B

Base Information

• Chemical Name: Pteroside B
• CAS No.: 29774-74-1
• Molecular Formula: C₂₀H₂₈O₇
• Molecular Weight: 380.438
• DSSTox Substance ID: DTXSID40183922
• Nikkaji Number: J4.383D
• Wikidata: Q83054782
• Metabolomics Workbench ID: 71618
• ChEMBL ID: CHEMBL4089910
• Mol file: 29774-74-1.mol

Synonyms:Pteroside B;29774-74-1;Pterosin B glucoside;BRN 1690970;(2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one;1H-Inden-1-one, 2,3-dihydro-6-(2-(beta-D-glucopyranosyloxy)ethyl)-2,5,7-trimethyl-, (R)-;CHEMBL4089910;DTXSID40183922;CHEBI:166497;AKOS040735121;LS-81833;(2R)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxyethyl]indan-1-one;1H-Inden-1-one, 6-[2-(.beta.-D-glucopyranosyloxy)ethyl]-2,3-dihydro-2,5,7-trimethyl-, (R)-

Chemical Property of Pteroside B

Chemical Property:

• Vapor Pressure: 3.22E-16mmHg at 25°C
• Boiling Point: 619.7°C at 760 mmHg
• Flash Point: 218.6°C
• PSA: 116.45000
• Density: 1.34g/cm³
• LogP: 0.03730
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 380.18350323
• Heavy Atom Count: 27
• Complexity: 527

Purity/Quality:

98.0% ^*data from raw suppliers

PTEROSIDEB 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C(C1=O)C(=C(C(=C2)C)CCOC3C(C(C(C(O3)CO)O)O)O)C
• Isomeric SMILES: C[C@@H]1CC2=C(C1=O)C(=C(C(=C2)C)CCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C

Technology Process of Pteroside B

There total 5 articles about Pteroside B 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: 82.0%

C48H52O7 → (2R)-pterosin B 14-O-β-D-glucopyranoside (29774-74-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; at 20 ℃; for 5h;

DOI:10.1002/anie.201504729

Reference yield:

C37H39FO4SSi → (2R)-pterosin B 14-O-β-D-glucopyranoside (29774-74-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) / benzene / 2 h / 100 °C

2.1: pyridine hydrogenfluoride / tetrahydrofuran / 10 h / 20 °C

3.1: acetonitrile / 1.5 h / 20 °C / Molecular sieve

3.2: 0.5 h / -40 °C

4.1: palladium 10% on activated carbon; hydrogen / methanol; ethyl acetate / 5 h / 20 °C

With 2,2'-azobis(isobutyronitrile); palladium 10% on activated carbon; hydrogen; tri-n-butyl-tin hydride; pyridine hydrogenfluoride; In tetrahydrofuran; methanol; ethyl acetate; acetonitrile; benzene;

DOI:10.1002/anie.201504729

Reference yield:

C30H36O2Si → (2R)-pterosin B 14-O-β-D-glucopyranoside (29774-74-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: pyridine hydrogenfluoride / tetrahydrofuran / 10 h / 20 °C

2.1: acetonitrile / 1.5 h / 20 °C / Molecular sieve

2.2: 0.5 h / -40 °C

3.1: palladium 10% on activated carbon; hydrogen / methanol; ethyl acetate / 5 h / 20 °C

With palladium 10% on activated carbon; hydrogen; pyridine hydrogenfluoride; In tetrahydrofuran; methanol; ethyl acetate; acetonitrile;

DOI:10.1002/anie.201504729

upstream raw materials:

2(R)-pterosin B

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