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3alpha-Hydroxy-7-oxo-5beta-cholanic Acid Structure

3alpha-Hydroxy-7-oxo-5beta-cholanic Acid

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)
pka 4.76±0.10(Predicted)
form  Solid
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℃
FDA UNII Y1357H1A28

Safety

Symbol(GHS)
Signal wordWarning
Hazard statements H315-H319-H302
Precautionary statements P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety Statements  22-24/25
NFPA 704:
0
2 0

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