Schaftoside

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Systematic / IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-8-(3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)-4H-chromen-4-one

ID: Reference8091

Other Names: 6-β-D-Glucopyranosyl-8-β-D-ribopyranosylapigenin;
6-b-D-Glucopyranosyl-8-b-D-ribopyranosylapigenin;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

Formula: C26H28O14

Spectral Data

Schaftoside 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 7/17/2018 11:58:12 AM
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Identificators

InChI InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2
InChI Key MMDUKUSNQNWVET-UHFFFAOYSA-N
Canonical SMILES C1C(C(C(C(O1)C2=C(C(=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O
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Other Names 6-β-D-Glucopyranosyl-8-β-D-ribopyranosylapigenin;
6-b-D-Glucopyranosyl-8-b-D-ribopyranosylapigenin;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one

In Other Databases

PubChem 3550102
HMDb HMDB33571
ChEMBL CHEMBL1537012
ChemSpider 2788145