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21499-66-1

Name bruceine D
CAS 21499-66-1
Molecular Formula C20H26O9
MDL Number MFCD00221753
Molecular Weight 410.42
MOL File 21499-66-1.mol
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Chemical Properties

Melting point  294-295℃
Boiling point  661.3±55.0 °C(Predicted)
density  1.60
storage temp.  Sealed in dry,2-8°C
solubility  DMSO: 100 mg/mL (243.65 mM)
form  Solid
pka 11.55±0.70(Predicted)
color  White to off-white
InChIKey JBDMZGKDLMGOFR-SOKPEVJONA-N
SMILES [C@@]123CO[C@@]4([C@@H](O)[C@H](O)C1[C@@]1(C)[C@H](O)C(C=C(C)[C@]1([H])C[C@@]2([H])OC(=O)[C@H](O)[C@]34O)=O)C |&1:0,3,4,6,9,11,17,20,25,27,r|

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H227
Precautionary statements  P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235

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