64461-95-6

Name [(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-[(E)-3-(4-hydroxy-3-methoxyphenyl)propenoyloxy]-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
CAS 64461-95-6
Molecular Formula C25H30O13
MDL Number MFCD10566631
Molecular Weight 538.5
MOL File 64461-95-6.mol
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Chemical Properties

Boiling point  829.8±65.0 °C(Predicted)
density  1.61
storage temp.  -20°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  powder
pka 9.74±0.31(Predicted)
color  White
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChIKey DPHFMUYFANVRJL-JCUBBWBISA-N
SMILES COc1cc(\C=C\C(=O)OC[C@H]2O[C@@H](O[C@@H]3OC=C[C@H]4[C@H](O)[C@@H]5O[C@]5(CO)[C@@H]34)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

Hazard Information

Spectrum Detail

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