PhytoHub: Showing entry for Oleuropein

Oleuropein

Identification

PhytoHub ID

PHUB000074

Name

Oleuropein

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

540.518

Monoisotopic Mass

540.18429109

Chemical Formula

C₂₅H₃₂O₁₃

IUPAC Name

methyl (4S,5Z,6R)-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}-4,6-dihydropyran-3-carboxylate

InChI Key

RFWGABANNQMHMZ-AGKURNLASA-N

InChI Identifier

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

SMILES

COC(=O)C1=CO[[email protected]](O[[email protected]@H]2O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]2O)\C(=C/C)[[email protected]@H]1CC(=O)OCCC1=CC(O)=C(O)C=C1

Structure