methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate

Modify Date: 2025-08-23 17:45:02

methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate Structure
methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate structure
Common Name methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
CAS Number 10538-58-6 Molecular Weight 404.58300
Density 1.085g/cm3 Boiling Point 505.7ºC at 760mmHg
Molecular Formula C25H40O4 Melting Point 138-141°C
MSDS N/A Flash Point 162.2ºC

 Names

Name Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.085g/cm3
Boiling Point 505.7ºC at 760mmHg
Melting Point 138-141°C
Molecular Formula C25H40O4
Molecular Weight 404.58300
Flash Point 162.2ºC
Exact Mass 404.29300
PSA 63.60000
LogP 4.77450
Vapour Pressure 2.3E-06mmHg at 25°C
Index of Refraction 1.495
InChIKey LOJPGRHPJBGMMF-CNZSLQMUSA-N
SMILES COC(=O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(O)C12C
Storage condition 2-8°C

 Precursor & DownStream

Precursor  0

DownStream  2

 Synonyms

methyl 12-thiatridecanoate
11-methylsulfanyl-undecanoic acid methyl ester
Methyl 3-Oxo-desoxycholate
3-oxo deoxycholic acid methyl ester
12-thiatridecanoic acid methyl ester
11-Methylmercapto-undecansaeure-methylester
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