Methyl 3,12-dihydroxycholan-24-oate

Basic Information

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CAS Number

3245-38-3

Molecular Formula

C25H42O4

Molecular Weight

406.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

SMILES

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CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

InChI

InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3

InChIKey

ZHUOOEGSSFNTNP-UHFFFAOYSA-N

LogP

4.566300000000005

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

620

Synonyms & References

English

TimTec1_001899
UNII-H1C2TVP7AQ
ST024724
NSC-22957
Deoxycholic Acid Methyl Ester
AKOS024278937
Methyl 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholanoate
CHEMBL1078051
MFCD00046270
Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3alpha,5beta,12alpha)-
J-018743
DTXSID70954203
Methyl 3.alpha.,12.alpha.-dihydroxy-5.beta.-cholan-24-oate
3245-38-3
Methyl 7-Deoxycholate
F82321
Methyl 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate
NSC22957
Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3a,5b,12a)-
HMS1539G07
Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-
Methyl deoxycholate
Methyl 7-desoxycholate
EINECS 221-819-1
Methyl 3,12-dihydroxycholan-24-oate, (3.alpha.,5.beta.,12.alpha.)-
Methyl 3,12-dihydroxycholan-24-oate
Q63396505
5.beta.-Cholan-24-oic acid, 3.alpha.,12.alpha.-dihydroxy-, methyl ester
Deoxycholic acid, methyl ester
5beta-Cholanic acid-3alpha,12alpha-diol methyl ester
methyl 4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetrac yclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoate

MDL Number

MFCD00046270

FAQ

What is Methyl 3,12-dihydroxycholan-24-oate (CAS: 3245-38-3)?

Methyl 3,12-dihydroxycholan-24-oate is a bile acid derivative. It is a colorless crystalline compound with a molecular formula of C24H40O4. This compound is characterized by its hydroxyl groups at positions 3 and 12 and a carboxylic acid group at position 24, which make it a significant intermediate in bile acid metabolism research.

What are the main uses of Methyl 3,12-dihydroxycholan-24-oate (CAS: 3245-38-3)?

Methyl 3,12-dihydroxycholan-24-oate is primarily used as a research tool in pharmacology and biochemistry. It serves as a precursor in the synthesis of other bile acids and is also used in the study of bile acid metabolism and liver function. It is less commonly used in pharmaceutical applications or industrial processes.

Is Methyl 3,12-dihydroxycholan-24-oate (CAS: 3245-38-3) safe?

Methyl 3,12-dihydroxycholan-24-oate is generally considered safe for laboratory use with proper precautions. It is non-toxic and does not pose a significant risk to human health. However, it should be handled with care to avoid skin contact and inhalation. Adequate ventilation and protective gloves are recommended.

How should Methyl 3,12-dihydroxycholan-24-oate (CAS: 3245-38-3) be stored?

Methyl 3,12-dihydroxycholan-24-oate should be stored in a cool, dry place away from direct sunlight and moisture. It is best kept in a tightly sealed container to prevent degradation. A temperature range of 15-25°C is ideal, and the compound should be protected from excessive humidity and light to maintain its stability and quality.