517-33-9

Name 3-hydroxy-7,12-diketocholanoic acid
CAS 517-33-9
Molecular Formula C24H36O5
Molecular Weight 404.54
MOL File 517-33-9.mol
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Chemical Properties

Melting point  190-192 °C(Solv: acetone (67-64-1))
Boiling point  582.2±50.0 °C(Predicted)
density  1.176±0.06 g/cm3(Predicted)
storage temp.  Hygroscopic, Refrigerator, under inert atmosphere
solubility  Methanol (Slightly), Water (Slightly)
form  Solid
pka 4.74±0.10(Predicted)
color  White to Off-White
InChIKey MAFJMPFLJJCSTB-UYTGTBPWNA-N
SMILES C1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C(=O)C1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)C(=O)C2 |&1:4,8,10,12,14,19,20,r|
CAS DataBase Reference 517-33-9

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