Yuanhuadine

Base Information

• Chemical Name: Yuanhuadine
• CAS No.: 76402-66-9
• Molecular Formula: C32H42 O10
• Molecular Weight: 586.674
• DSSTox Substance ID: DTXSID101318552
• Wikidata: Q27137908
• Metabolomics Workbench ID: 125354
• ChEMBL ID: CHEMBL1911631
• Mol file: 76402-66-9.mol

Synonyms:yuanhuadine

Chemical Property of Yuanhuadine

Chemical Property:

• Vapor Pressure: 6.15E-23mmHg at 25°C
• Boiling Point: 704.4°C at 760 mmHg
• Flash Point: 222.4°C
• PSA: 144.28000
• Density: 1.34g/cm³
• LogP: 2.41050
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 586.27779753
• Heavy Atom Count: 42
• Complexity: 1290

Purity/Quality:

HPLC≥95% ^*data from raw suppliers

YUANHUADINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO
• Isomeric SMILES: CCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO