Germanasim E

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Systematic / IUPAC Name: 4-(9-Methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

ID: Reference8179

Other Names: 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-[4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-9-methoxy-;
9-methoxy-7-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

Formula: C29H32O16

Spectral Data

Germanasim E 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 8/24/2018 10:45:16 AM
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Identificators

InChI InChI=1S/C29H32O16/c1-38-27-18-14(6-15-26(27)42-10-41-15)39-8-13(19(18)31)11-2-4-12(5-3-11)43-29-25(37)23(35)21(33)17(45-29)9-40-28-24(36)22(34)20(32)16(7-30)44-28/h2-6,8,16-17,20-25,28-30,32-37H,7,9-10H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,28-,29-/m1/s1
InChI Key FIMKKXUVGBDUNE-GRSVEZLYSA-N
Canonical SMILES COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O
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Other Names 8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-[4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-9-methoxy-;
9-methoxy-7-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

In Other Databases

PubChem 75411906
ChemSpider 29814092