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ChemicalBook--->CAS DataBase List--->2458-08-4

2458-08-4

2458-08-4 Structure

2458-08-4 Structure
IdentificationBack Directory
[Name]

3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid
[CAS]

2458-08-4
[Synonyms]

Einecs 219-542-6
12-Oxocholic acid
12-Ketochenodeoxycholic acid
Ursodeoxycholic Acid Impurity 23
Chenodeoxycholic Acid Impurity 10
3,7-Dihydroxy-12-oxocholanoic acid
3α,7α-Dihydroxy-12-oxocholanic acid
5β-CHOLANIC acid-3α, 7α-DIOL-12-ONE
3α,7α-Dihydroxy-12-oxo-5β-cholanic acid
3α,7α-Dihydroxy-12-oxo-5β-cholan-24-oic acid
Cholic Acid Impurity 8 (12-Oxochenodeoxycholic Acid)
3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid
Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, (3 alpha,5 beta,7 alpha)-
[EINECS(EC#)]

219-542-6
[Molecular Formula]

C24H38O5
[MDL Number]

MFCD00134876
[MOL File]

2458-08-4.mol
[Molecular Weight]

406.56
Chemical PropertiesBack Directory
[Boiling point ]

583℃[at 101 325 Pa]
[density ]

1.18[at 20℃]
[vapor pressure ]

0Pa at 20℃
[form ]

Solid
[pka]

5[at 20 ℃]
[color ]

White to off-white
[Water Solubility ]

4.698mg/L at 25℃
[LogP]

2.97 at 20℃
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Definition]

ChEBI: 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid is an oxo-5beta-cholanic acid. It is a conjugate acid of a 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid(2458-08-4)MS
3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid(2458-08-4)13CNMR
3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid(2458-08-4)IR1
3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid(2458-08-4)IR2
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