Asclepin

Base Information

• Chemical Name: Asclepin
• CAS No.: 36573-63-4
• Deprecated CAS: 1395-13-7
• Molecular Formula: C31H42 O10
• Molecular Weight: 574.73
• European Community (EC) Number: 253-110-8
• DSSTox Substance ID: DTXSID50957853
• Nikkaji Number: J55.738B
• Wikidata: Q27105852
• Pharos Ligand ID: GM7T9ZY7QGKQ
• Metabolomics Workbench ID: 134264
• ChEMBL ID: CHEMBL445086
• Mol file: 36573-63-4.mol

Synonyms:asclepin

Chemical Property of Asclepin

Chemical Property:

• Melting Point: 308.5°C
• Refractive Index: 1.5376 (estimate)
• Boiling Point: 723°Cat760mmHg
• Flash Point: 232.2°C
• PSA: 137.82000
• Density: 1.37g/cm³
• LogP: 2.57150
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 574.27779753
• Heavy Atom Count: 41
• Complexity: 1170

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)OC(=O)C
• Isomeric SMILES: C[C@@H]1C[C@@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)OC(=O)C

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