Harrisonin

Base Information

• Chemical Name: Harrisonin
• CAS No.: 62026-30-6
• Molecular Formula: C27H32O10
• Molecular Weight: 516.537
• ChEMBL ID: CHEMBL2398516
• DSSTox Substance ID: DTXSID901098352
• Metabolomics Workbench ID: 70198
• Wikidata: Q27106831

Synonyms:harrisonin

Chemical Property of Harrisonin

Chemical Property:

• Boiling Point: 648.4°Cat760mmHg
• Flash Point: 345.9°C
• Density: 1.43g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 516.19954721
• Heavy Atom Count: 37
• Complexity: 1130

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1(C(=O)C2(C(C3CCC4(C(OC(=O)C5C4(C3(C2(O1)O)C)O5)C6=COC=C6)C)(C)C=CC(=O)OC)O)C
• Isomeric SMILES: C[C@@]12CC[C@@H]3[C@@]([C@]4(C(=O)C(O[C@]4([C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)O)(C)C)O)(C)/C=C\C(=O)OC

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