Summary

IMPPAT Phytochemical identifier: IMPHY015870

Phytochemical name: Octadecyl acetate

Synonymous chemical names:
octadecanol acetate, octadecyl acetate, stearyl acetate

External chemical identifiers:
CID:69968, ZINC:ZINC000059725381, FDASRS:A8005KSX95, SureChEMBL:SCHEMBL131668, MolPort-002-501-582

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)C

InChI:
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3

InChIKey:
OIZXRZCQJDXPFO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCOC=O)C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.339

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Chemical structure download