Molecule record

methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate

C₂₅H₃₂O₁₃

540.52 g/mol

Loading structure

Molecular properties

Formula: C₂₅H₃₂O₁₃
Molar mass: 540.52 g·mol⁻¹
Exact mass: 540.1843 Da
: 10
PubChem CID: 5281544

Functional groups

Alcohol

Alkane / alkyl carbon

Alkene

Aromatic ring

Ester

Ether

Phenol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

251-129-6
2O4553545L
32619-42-4
CCG-269961
CHEBI:7747
DTXCID401334206
DTXSID60905103
EINECS 251-129-6

Show all 24 synonyms

OLEUROPEIN [MI]
OLEUROPEIN [USP-RS]
OLEUROPEIN [VANDF]
OLEUROPEIN [WHO-DD]
Oleoeuropein
Oleuropein
Oleuropein (Standard)
Oleuropein CRS
Oleuropein, 75%
Oleuropein, >95%
Oleuropein, >=98.0%
Oleuropeine
Oleuroperin
RefChem:168112
UNII-2O4553545L
oleoeuropeine

Structure identifiers

Canonical SMILES: C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1
Isomeric SMILES: C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC(=C(C=C3)O)O
InChI: InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
InChIKey: RFWGABANNQMHMZ-ZCHJGGQASA-N
PubChem CID: 5281544

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for methyl (4S,5E,6S)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record