981-15-7

Name ailanthone
CAS 981-15-7
Molecular Formula C20H24O7
MDL Number MFCD01729487
Molecular Weight 376.403
MOL File 981-15-7.mol

Chemical Properties

Melting point  235-237 °C
Boiling point  641.0±55.0 °C(Predicted)
density  1.47
storage temp.  Sealed in dry,Store in freezer, under -20°C
solubility  DMSO:100.0(Max Conc. mg/mL);265.67(Max Conc. mM)
form  A crystalline solid
pka 11.85±0.70(Predicted)
color  White to off-white
InChIKey WBBVXGHSWZIJST-BIKIFPNSNA-N
SMILES [C@]123CO[C@@]4(O)[C@H](O)C(=C)C1CC(=O)O[C@]2([H])C[C@@]1([H])C(C)=CC(=O)[C@@H](O)[C@]1(C)[C@]34[H] |&1:0,3,5,14,17,24,26,28,r|
LogP -0.760 (est)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H300
Precautionary statements  P301+P330+P331+P310
WGK Germany  WGK 3
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Oral

Hazard Information

Questions And Answer

Spectrum Detail

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