Samaderin A

Base Information

• Chemical Name: Samaderin A
• CAS No.: 64364-76-7
• Molecular Formula: C18H18 O6
• Molecular Weight: 330.3319
• UNII: FY0R1Q3SD3
• DSSTox Substance ID: DTXSID90331633
• Nikkaji Number: J2.258.091D
• Wikidata: Q27108215
• Metabolomics Workbench ID: 127708
• ChEMBL ID: CHEMBL2270648
• Mol file: 64364-76-7.mol

Synonyms:samaderin A

Chemical Property of Samaderin A

Chemical Property:

• Vapor Pressure: 3.52E-19mmHg at 25°C
• Boiling Point: 641.8°Cat760mmHg
• Flash Point: 241°C
• PSA: 89.90000
• Density: 1.49g/cm³
• LogP: 0.33840
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 330.11033829
• Heavy Atom Count: 24
• Complexity: 808

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C2(C1=CC(=O)C34C2C(C5C(C3C(=O)O5)(OC4)C)O)C
• Isomeric SMILES: CC1=CC(=O)[C@]2(C1=CC(=O)[C@]34[C@@H]2[C@H]([C@H]5[C@]([C@@H]3C(=O)O5)(OC4)C)O)C

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