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4651-67-6

Name 3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID
CAS 4651-67-6
EINECS(EC#) 225-083-2
Molecular Formula C24H38O4
MDL Number MFCD00271393
Molecular Weight 390.56
MOL File 4651-67-6.mol
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Chemical Properties

Melting point  205°C
Boiling point  545.9±25.0 °C(Predicted)
density  1.124±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
solubility  Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.76±0.10(Predicted)
color  White to Off-White
Water Solubility  2.062mg/L at 25℃
InChIKey DXOCDBGWDZAYRQ-QHVQYUNXNA-N
SMILES C(O)(=O)CC[C@H]([C@@H]1[C@@]2(C)CC[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])CC(=O)[C@@]3([H])[C@]2([H])CC1)C |&1:5,6,7,11,13,17,20,25,27,r|
LogP 3.48 at 20℃

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