CID 54707688

Base Information

• Chemical Name: CID 54707688
• CAS No.: 478945-64-1
• Molecular Formula: C25H35NO6
• Molecular Weight: 445.5
• Metabolomics Workbench ID: 108604
• Nikkaji Number: J1.796.740A

Synonyms:Zopfiellamide A;478945-64-1;2-[[(4E)-4-[(E)-3-[(1S,2S,4aR,8aS)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-1-hydroxyprop-2-enylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-2-hydroxy-3-methylbutanoic acid

Chemical Property of CID 54707688

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 445.24643784
• Heavy Atom Count: 32
• Complexity: 872

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1C=CC2CCCCC2C1C=CC(=C3C(=O)C(N(C3=O)C)CC(C(C)C)(C(=O)O)O)O
• Isomeric SMILES: C[C@H]1C=C[C@H]2CCCC[C@@H]2[C@H]1/C=C/C(=C\3/C(=O)C(N(C3=O)C)CC(C(C)C)(C(=O)O)O)/O

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