alpha-Peltatin

Base Information

• Chemical Name: alpha-Peltatin
• CAS No.: 568-53-6
• Molecular Formula: C21H20 O8
• Molecular Weight: 400.385
• NSC Number: 35463,24817
• UNII: EHO76Y1JAO
• DSSTox Substance ID: DTXSID30205349
• Nikkaji Number: J13.797I
• Wikidata: Q27108616
• Metabolomics Workbench ID: 143566
• ChEMBL ID: CHEMBL95972
• Mol file: 568-53-6.mol

Synonyms:alpha-peltatin

Chemical Property of alpha-Peltatin

Chemical Property:

• Boiling Point: 625.4°Cat760mmHg
• Flash Point: 221.2°C
• PSA: 103.68000
• Density: 1.336g/cm³
• LogP: 2.32090
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 400.11581759
• Heavy Atom Count: 29
• Complexity: 614

Purity/Quality:

99% ^*data from raw suppliers

α-Peltatin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O
• Isomeric SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O
• Uses: α-Peltatin is one of the major lignans in Podophyllum peltatum, and is one of the components of Podophyllin, a complex mixture of oils and pigments that was used as a purgative. α-Peltatin also has biological activity against tumours.

Technology Process of alpha-Peltatin

There total 1 articles about alpha-Peltatin 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:

→ (5R,5aR,8aR)-10-Hydroxy-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one (568-53-6)

Guidance literature:

With emulsin-substance;

DOI:10.1002/hlca.19570400525

Reference yield: 91.0%

(5R,5aR,8aR)-10-Hydroxy-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one (568-53-6) → α-Peltatin-B (477-46-3)

Guidance literature:

With ammonium hydroxide; In methanol; Heating;

DOI:10.1021/jm950387u

Reference yield: 83.0%

(5R,5aR,8aR)-10-Hydroxy-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5,8,8a,9-tetrahydro-5aH-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6-one (568-53-6) → 3',4'-didemethoxy-4-deoxy-3',4'-dihydro-5-hydroxy-3',4'-dioxopodophyllotoxin (119841-80-4)

Guidance literature:

With periodic acid; In chloroform; water; for 0.5h;

DOI:10.1039/P19880002573

Downstream raw materials:

(-)-β-peltatin-A-methyl ether

Di-O-acetyl-α-peltatin-B

α-peltatin diacetate

α-Peltatin-B