Myricerone

Base Information

• Chemical Name: Myricerone
• CAS No.: 145039-10-7
• Molecular Formula: C₃₀H₄₆O₄
• Molecular Weight: 470.693
• UNII: LCV7TKY4R5
• Nikkaji Number: J827.962D

Synonyms:Myricerone;LCV7TKY4R5;UNII-LCV7TKY4R5;27-Hydroxy-3-oxoolean-12-en-28-oic acid;Olean-12-en-28-oic acid, 27-hydroxy-3-oxo-;145039-10-7;SCHEMBL13524778

Chemical Property of Myricerone

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 470.33960994
• Heavy Atom Count: 34
• Complexity: 946

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)CO)C(=O)O)C
• Isomeric SMILES: C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)CO)C)(C)C

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