4-[(1S,3aS,4R,6aR)-3a-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl β-D-glucopyranoside

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Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(3R,3aS,6S,6aR)-3a-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

ID: Reference8140

Other Names: β-D-Glucopyranoside, 2-methoxy-4-[(1S,3aS,4R,6aR)-tetrahydro-3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl;
8-Hydroxypinoresinol-4'-O-β-D-glucopyranoside

Formula: C26H32O12

Spectral Data

4-[(1S,3aS,4R,6aR)-3a-Hydroxy-4-(4-hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl 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 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 8/8/2018 12:05:20 PM
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Identificators

InChI InChI=1S/C26H32O12/c1-33-17-8-13(3-5-15(17)28)24-26(32)11-36-23(14(26)10-35-24)12-4-6-16(18(7-12)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3/t14-,19-,20-,21+,22-,23-,24-,25-,26-/m1/s1
InChI Key GQLQVPZSTWXDBQ-ZOKOZUFBSA-N
Canonical SMILES COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O
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Other Names β-D-Glucopyranoside, 2-methoxy-4-[(1S,3aS,4R,6aR)-tetrahydro-3a-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenyl;
8-Hydroxypinoresinol-4'-O-β-D-glucopyranoside

In Other Databases

ChEMBL CHEMBL479730
ChemSpider 10213113
PubChem 21591950