Marrubenol

Base Information

• Chemical Name: Marrubenol
• CAS No.: 560-58-7
• DSSTox Substance ID: DTXSID201318381
• Nikkaji Number: J14.222K
• Wikidata: Q105188279
• Metabolomics Workbench ID: 133362
• ChEMBL ID: CHEMBL389065

Synonyms:marrubenol

Chemical Property of Marrubenol

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 336.23005950
• Heavy Atom Count: 24
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)CO)O
• Isomeric SMILES: C[C@@H]1C[C@H]([C@H]2[C@@](CCC[C@@]2([C@]1(CCC3=COC=C3)O)C)(C)CO)O

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