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Chemical structure of Ethyl nonadecanoate
Aliphatics

Ethyl nonadecanoate

十九烷酸乙酯

PHY-NP-13093 · Natural product research catalog

Catalog numberPHY-NP-13093
CAS number18281-04-4
Molecular formulaC21H42O2
Molecular weight326.565 g/mol
Chemical classAliphatics
Purity / assayConfirmed in quotation and batch COA

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Product information

Ethyl nonadecanoate 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 nameethyl nonadecanoate
SMILESCCCCCCCCCCCCCCCCCCC(=O)OCC
InChIKeyICVYQLQYVCXJNE-UHFFFAOYSA-N
Subclass / scaffoldFatty esters:Wax monoesters
PubChem CID29008

Computed properties & structure classification

Exact mass (Da)326.3185Predicted LogP7.2011
Predicted TPSA (Ų)26.3H-bond donors0
H-bond acceptors2Rotatable bonds18
Ring count0Aromatic rings0
Fraction Csp³0.952Synthetic accessibility score1.78
QED score0.196Lipinski rule violations1
NPClassifier pathwayFatty acidsNPClassifier superclassFatty esters
NPClassifier classWax monoestersParent SMILESCCCCCCCCCCCCCCCCCCC(=O)OCC
Parent formulaC21H42O2Parent molecular weight326.565
Specified stereocenters0Unspecified stereocenters0

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

Reported natural occurrence

Main reported sourceHouttuynia cordata
LOTUS / Wikidata speciesHouttuynia cordata(鱼腥草)[1]
Source familiesSaururaceae[1]
LOTUS species records1
LOTUS reference records1
COCONUT occurrence recordsHouttuynia cordata;Melia azedarach;Melia azedarach var. toosendan
COCONUT organism records3
COCONUT identifierCNP0421801.0

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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