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Chemical structure of Oleuropeinic acid

GC39037

Oleuropeinic acid

Also known as (2Z)-2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acid

oleuropeinic acid is present initially in olive tissues or formed by the thermal treatment, possibly by the oxidation of oleuropein

ChemicalCAS96382-90-0MW570.5FormulaC25H30O15
CAS number
96382-90-0
Molecular weight
570.5
Formula
C25H30O15
Solubility
DMSO : ≥ 100 mg/mL (175·28 mM)
InChIKey
XJDJODWHDUVAGF-SHKSAQAUSA-N
Catalogue number
GC39037
Brand
GLPBIO
Computed properties PubChem CID 45359977 · XLogP -1.5 · TPSA 239 Ų · H-bond donors 7
XLogP
-1.5
TPSA
239 Ų
H-bond donors
7
H-bond acceptors
15
Rotatable bonds
12
Heavy atoms
40

SMILES COC(=O)C1=COC(/C(=C\C(=O)O)/C1CC(=O)OCCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Computed descriptors from PubChem (CID 45359977), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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