Ambrettolide

Synonyms: Ambrettolid, "Musk natural", "Ambrettolide", "Oxacycloheptadec-8-en-2-one", "Natural musk ambrette", "omega-6-Hexadecenlactone","Hexadec-7-en-16-olide", "(Z)-Oxacycloheptadec-8-en-2-one", "Musk ambrette (natural)", "16-Hydroxy-7-hexadecenoic acid lactone", "(8Z)-1-oxacycloheptadec-8-en-2-one", "UNII-095I377U8F", "Musk ambrette, natural", "(Z)-7-Hexadecen-16-olide", "(Z)-7-Hexadecen-1,16-olide".

Source: Ambrettolide is a lightly sweetly smelling musk, which naturally occurs in ambrette seeds.

Identifiers:

IUPAC Name: (8Z)-1-oxacycloheptadec-8-en-2-one
CAS Number: 123-69-3
PubChem ID: 5365703
InChiKey: NVIPUOMWGQAOIT-RQOWECAXSA-N
Canonical SMILES: C1CCCCOC(=O)CCCCCC=CCCC1

Structural Properties:

Molecular Formula: C₁₆H₂₈O₂
Molecular Weight: 252.39

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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2D-structure

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