2-(3,4-Dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

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Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

ID: Reference7745

Other Names: Calceolarioside A;
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-;
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)- ;
{(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl} (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Formula: C23H26O11

Spectral Data

2-(3,4-Dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/10/2018 12:01:06 PM
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Identificators

InChI InChI=1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-8,11H2/b6-3+/t18-,20-,21-,22-,23-/m1/s1
InChI Key UHIGZYLCYRQESL-VJWFJHQPSA-N
Canonical SMILES C1=CC(=C(C=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O)O
CAS
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Other Names Calceolarioside A;
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-;
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl, 4-[3-(3,4-dihydroxyphenyl)-2-propenoate], (E)- ;
{(2R,3S,4R,5R,6R)-6-[2-(3,4-Dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl} (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

In Other Databases

PubChem 5273566
ChemIDPlus 084744285
ChemSpider 4437969
ChEMBL CHEMBL481635