chempirical

Oleuropein

C25H32O13CAS 32619-42-4540.52 g/mol

Open in Covalent MOL file
OOOHOHOHHOOOOOOHOOH
AcetalAlcoholAlkeneEsterEtherPhenol

Properties

Molecular formula
C25H32O13
Molar mass
540.52 g/mol
Exact mass
540.1843 Da
Melting point
88 °C
logP
-0.63Crippen estimate
Polar surface area
201.7 Ų
H-bond donors / acceptors
6 / 13
Rotatable bonds
9
Stereocentres
S, S, R, S, S, R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
32619-42-4
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
InChIKey
RFWGABANNQMHMZ-ZCHJGGQASA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, (2S,3E,4S)-
  • 2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester, [2S-(2α,3E,4β)]-
  • 2H-Pyran-4-acetic acid, 5-carboxy-3-ethylidene-2-(β-D-glucosyloxy)-3,4-dihydro-, 3,4-dihydroxyphenethyl 5-methyl ester
  • Oleoeuropeine
  • Oleuropeine
  • Oleoeuropein
  • Opiace

Work with Oleuropein

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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