Hamaudol

Base Information

• Chemical Name: Hamaudol
• CAS No.: 735-46-6
• Molecular Formula: C₁₅H₁₆O₅
• Molecular Weight: 276.289
• DSSTox Substance ID: DTXSID20223719
• Nikkaji Number: J167.384J
• Wikidata: Q27155079
• Metabolomics Workbench ID: 126552
• ChEMBL ID: CHEMBL2059288
• Mol file: 735-46-6.mol

Synonyms:hamaudol

Chemical Property of Hamaudol

Chemical Property:

• Vapor Pressure: 1.95E-09mmHg at 25°C
• Melting Point: 197.0-197.5 °C
• Boiling Point: 464.7°C at 760 mmHg
• PKA: 6.77±0.70(Predicted)
• Flash Point: 176°C
• PSA: 79.90000
• Density: 1.336g/cm³
• LogP: 1.88140
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 276.09977361
• Heavy Atom Count: 20
• Complexity: 455

Purity/Quality:

95%-98% ^*data from raw suppliers

Hamaudol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)O)(C)C)O
• Isomeric SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)O)(C)C)O

Technology Process of Hamaudol

There total 3 articles about Hamaudol 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:

(3'S)-3'-O-β-D-apiofuranosyl-(1→ 6)-β-D-glucopyranosylhamaudol → hamaudol (735-46-6,41214-47-5,109431-02-9)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 3h; Reflux;

DOI:10.1007/s11418-020-01409-6

Reference yield:

3'-O-β-glucopyranosylhamaudol (80681-44-3) → hamaudol (735-46-6,41214-47-5,109431-02-9)

Guidance literature:

With β-glucosidase; In water; dimethyl sulfoxide; at 37 ℃; for 4h;

DOI:10.1248/cpb.49.154

Reference yield:

3'-O-β-glucopyranosylhamaudol (80681-44-3) → hamaudol (735-46-6,41214-47-5,109431-02-9) + D-glucose (50-99-7)

Guidance literature:

With sulfuric acid; for 1h; Heating; water bath;

upstream raw materials:

3'-O-β-glucopyranosylhamaudol