6-Methoxy-2-oxo-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)hexopyranoside

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Systematic / IUPAC Name: 3-Hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid

ID: Reference8261

Other Names: Hexopyranoside, 6-methoxy-2-oxo-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-2H-1-benzopyran-7-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate);
Rutarensin

Formula: C31H30O16

Spectral Data

6-Methoxy-2-oxo-3-[(2-oxo-2H-chromen-7-yl)oxy]-2H-chromen-7-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)hexopyranoside 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 6854
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2018 12:51:02 PM
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Identificators

InChI InChI=1S/C31H30O16/c1-31(40,11-23(32)33)12-25(35)42-13-22-26(36)27(37)28(38)30(47-22)46-20-10-18-15(7-19(20)41-2)8-21(29(39)45-18)43-16-5-3-14-4-6-24(34)44-17(14)9-16/h3-10,22,26-28,30,36-38,40H,11-13H2,1-2H3,(H,32,33)
InChI Key ZTLZGWDERZVHNS-UHFFFAOYSA-N
Canonical SMILES CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C=C(C(=O)OC3=C2)OC4=CC5=C(C=C4)C=CC(=O)O5)OC)O)O)O)O
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Other Names Hexopyranoside, 6-methoxy-2-oxo-3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-2H-1-benzopyran-7-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate);
Rutarensin

In Other Databases

ChemSpider 10133127
PubChem 11958880