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Chemical structure of Acetic acid, C>19-alkyl esters
Aliphatics

Acetic acid, C>19-alkyl esters

花生基乙酸酯

PHY-NP-12976 · Natural product research catalog

Catalog numberPHY-NP-12976
CAS number822-24-2
Molecular formulaC22H44O2
Molecular weight340.592 g/mol
Chemical classAliphatics
Purity / assayConfirmed in quotation and batch COA

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Product information

Acetic acid, C>19-alkyl esters is listed in the Aliphatics section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC nameicosyl acetate
SMILESCCCCCCCCCCCCCCCCCCCCOC(=O)C
InChIKeyJUCOQIYAKWHGSZ-UHFFFAOYSA-N
Subclass / scaffoldFatty esters:Wax monoesters
PubChem CID110347

Computed properties & structure classification

Exact mass (Da)340.3341Predicted LogP7.5912
Predicted TPSA (Ų)26.3H-bond donors0
H-bond acceptors2Rotatable bonds19
Ring count0Aromatic rings0
Fraction Csp³0.955Synthetic accessibility score1.8
QED score0.179Lipinski rule violations1
NPClassifier pathwayFatty acidsNPClassifier superclassFatty esters
NPClassifier classWax monoestersParent SMILESCCCCCCCCCCCCCCCCCCCCOC(C)=O
Parent formulaC22H44O2Parent molecular weight340.592
Specified stereocenters0Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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