CID 11953937

Base Information

• Chemical Name: CID 11953937
• CAS No.: 31824-11-0
• Molecular Formula: C20H26 O5
• Molecular Weight: 346.4174
• ChEMBL ID: CHEMBL2380798
• Metabolomics Workbench ID: 70872
• Wikidata: Q27107538

Synonyms:Nobilin;CHEBI:7603;31824-11-0;C09518;CHEMBL2380798;BDBM50433432;Q27107538;[(3aR,4S,6E,9S,10Z,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

Chemical Property of CID 11953937

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 522.868°C at 760 mmHg
• Flash Point: 181.931°C
• Density: 1.153g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 346.17802393
• Heavy Atom Count: 25
• Complexity: 668

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1CC(=CCC(C(=CC2C1C(=C)C(=O)O2)C)O)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@H]1C/C(=C/C[C@@H](/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/C

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