Pandamarilactonine B

Base Information

• Chemical Name: Pandamarilactonine B
• CAS No.: 303008-81-3
• Molecular Formula: C18H23NO4
• Molecular Weight: 317.385
• UNII: 2XPR8MF7VQ
• DSSTox Substance ID: DTXSID801106358
• Nikkaji Number: J1.428.873B
• Wikidata: Q105033057
• Mol file: 303008-81-3.mol

Synonyms:pandamarilactonine B

Chemical Property of Pandamarilactonine B

Chemical Property:

• PSA: 55.84000
• LogP: 2.42760
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 317.16270821
• Heavy Atom Count: 23
• Complexity: 602

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(OC1=O)C2CCCN2CCCC=C3C=C(C(=O)O3)C
• Isomeric SMILES: CC1=C[C@@H](OC1=O)[C@@H]2CCCN2CCC/C=C\3/C=C(C(=O)O3)C

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