3-oxocholicacid , AvantiPolarLipids

Synonym(s):
5β-cholanoic acid-7α,12α-diol-3-one

CAS NO.：

Empirical Formula: C24H38O5

Molecular Weight: 406.56

MDL number: MFCD00271377

PRODUCT Properties

• Melting point: 185 °C
• Boiling point: 583.0±50.0 °C(Predicted)
• Density: 1.180±0.06 g/cm3(Predicted)
• storage temp.: 2-8°C
• solubility: Chloroform (Slightly, Heated), Methanol (Slightly)
• pka: 4.76±0.10(Predicted)
• form: Solid
• color: Off-White to Pale Beige
• Stability: Hygroscopic
• InChIKey: OEKUSRBIIZNLHZ-DJDNIQJZSA-N
• SMILES: [H][C@@]12[C@]([C@](CCC(C3)=O)(C)[C@]3([H])C[C@H]2O)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O

Description and Uses

3-Oxo-7α,12α-hydroxy-5β-cholanoic Acid is a keto bile acid derivative.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338
• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2