(2S,2'S,3R,3'R)-7'-(β-D-Glucopyranosyloxy)-5,5'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-3,3'-bichromen-7-yl β-D-glucopyranoside

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Systematic / IUPAC Name: (2S,3R)-5-Hydroxy-3-[(2S,3R)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-3-yl]-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

ID: Reference8245

Other Names: [3,3'-Bi-2H-1-Benzopyran]-4,4'(3H,3'H)-dione, 7,7'-bis(β-D-glucopyranosyloxy)-5,5'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S,3R,3'R)-

Formula: C42H42O20

Spectral Data

(2S,2'S,3R,3'R)-7'-(β-D-Glucopyranosyloxy)-5,5'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-3,3'-bichromen-7-yl 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 4
No. of Spectra 4564
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/16/2018 8:24:17 AM
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Identificators

InChI InChI=1S/C42H42O20/c43-13-25-31(49)35(53)37(55)41(61-25)57-19-9-21(47)27-23(11-19)59-39(15-1-5-17(45)6-2-15)29(33(27)51)30-34(52)28-22(48)10-20(58-42-38(56)36(54)32(50)26(14-44)62-42)12-24(28)60-40(30)16-3-7-18(46)8-4-16/h1-12,25-26,29-32,35-50,53-56H,13-14H2/t25-,26-,29+,30+,31-,32-,35+,36+,37-,38-,39-,40-,41-,42-/m1/s1
InChI Key RVPPNKOUWPOQRX-VAVPTQKHSA-N
Canonical SMILES C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)C5C(OC6=CC(=CC(=C6C5=O)O)OC7C(C(C(C(O7)CO)O)O)O)C8=CC=C(C=C8)O)O
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Other Names [3,3'-Bi-2H-1-Benzopyran]-4,4'(3H,3'H)-dione, 7,7'-bis(β-D-glucopyranosyloxy)-5,5'-dihydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'S,3R,3'R)-

In Other Databases

PubChem 14633230
ChemSpider 22913690