Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate

Base Information

• Chemical Name: Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate
• CAS No.: 101034-51-9
• Molecular Formula: C₂₃H₂₈O₃
• Molecular Weight: 352.474
• DSSTox Substance ID: DTXSID301111192
• Nikkaji Number: J936.172C
• Wikidata: Q76416525
• Metabolomics Workbench ID: 45196

Synonyms:Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate;Apo-8'-bixinal;101034-51-9;DTXSID301111192;(9Z)-8'-Oxo-6,8'-diapo-psi,psi-caroten-6-oic acid methyl ester;Methyl (2E,4Z,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-18-oxo-2,4,6,8,10,12,14,16-octadecaoctaenoate;methyl (2E,4Z,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoate

Chemical Property of Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate

Chemical Property:

• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 352.20384475
• Heavy Atom Count: 26
• Complexity: 706

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MSDS Files:

Useful:

• Canonical SMILES: CC(=CC=CC=C(C)C=CC=C(C)C=O)C=CC=C(C)C=CC(=O)OC
• Isomeric SMILES: C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=O)/C=C/C=C(/C)\C=C\C(=O)OC

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