nymphaeol B

Base Information

• Chemical Name: nymphaeol B
• CAS No.: 73676-37-6
• Molecular Formula: C₂₅H₂₈O₆
• Molecular Weight: 424.494
• DSSTox Substance ID: DTXSID101318190
• Nikkaji Number: J2.201.388B,J2.505.236F
• Wikidata: Q27135258
• Metabolomics Workbench ID: 64706
• ChEMBL ID: CHEMBL464364

Synonyms:propolin D

Chemical Property of nymphaeol B

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 424.18858861
• Heavy Atom Count: 31
• Complexity: 682

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MSDS Files:

Useful:

• Canonical SMILES: CC(=CCCC(=CCC1=C(C=CC(=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C

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