40581-17-7

Name 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy -6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-me thyl-oxan-2-yl]chromen-4-one
CAS 40581-17-7
Molecular Formula C27H30O14
MDL Number MFCD29037226
Molecular Weight 578.52
MOL File 40581-17-7.mol
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Chemical Properties

Boiling point  925.3±65.0 °C(Predicted)
density  1.703±0.06 g/cm3(Predicted)
storage temp.  -20°C
solubility  Soluble in DMSO
form  Solid
pka 5.70±0.40(Predicted)
color  White to yellow
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey MVOUGOXRXQDXDC-RSPRXDBDSA-N
SMILES O=C1C=C(OC(C([C@@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)C)=C3O)=C1C(O)=C3[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)C5=CC=C(C=C5)O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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