(5beta,20R)-3,7,12-Trioxocholan-24-oic acid

Basic Information

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CAS Number

81-23-2

Molecular Formula

C24H34O5

Molecular Weight

402.53 g/mol

Basic Physical Properties

Melting Point

236.0 to 240.0 deg-C

Boiling Point

444.65°C (rough estimate)

Density

1.0687 (rough estimate)

Solubility

ethanol: 10 mg/mL

Refractive Index

30.5 ° (C=2, Dioxane)

Specific Rotation

29 º (c=2, dioxane)

SMILES

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C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O

InChI

InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1

InChIKey

OHXPGWPVLFPUSM-KLRNGDHRSA-N

LogP

4.073300000000003

Topological Polar Surface Area

88.50999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

756

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

TRIKETOCHOLANIC
3,7,12-TRIOXO-5B-CHOLENE-24-OIC ACID
3,7,12-TRIOXO-5-BETA-CHOLAMIC ACID
3,7,12-TRIOXO-5BETA-CHOLAN-24-OIC ACID
3,7,12-TRIOXO-5BETA-CHOLANIC ACID
5BETA-CHOLANIC ACID-3,5,12-TRIONE
5-BETA-CHOLANIC ACID-3,7,12-TRIONE
DEHYDROCHOLIC ACID
KETOCHOLANIC ACID
3,7,12-Triketo-5beta-cholanic acid
3,7,12-Triketo-5beta-cholanoic acid
3,7,12-Triketocholanic acid
3,7,12-Triketocholic acid
3,7,12-Trioxo-24-cholanic acid
3,7,12-trioxo-5-beta-cholan-24-oicaci
3,7,12-Trioxo-5-Cholanicacid
3,7,12-Trioxocholan-24-oic acid
3,7,12-Trioxocholanic acid
Diphenyl ether
EH-4360S
(5β)-3,7,12-Trioxocholan-24-oic acid
5β-Cholanic acid-3,5,12-trione
Decholin
Dehystolin
Felacrinos
Sanocholen
Oxycholin
Chologon
dehydrocholate
Drenobyl
Dehychol

MDL Number

MFCD00066410

FAQ

What is (5beta,20R)-3,7,12-Trioxocholan-24-oic acid (CAS: 81-23-2)?

(5beta,20R)-3,7,12-Trioxocholan-24-oic acid, with the CAS number 81-23-2, is a type of bile acid derivative. It has the chemical formula C24H42O5 and is characterized by its three hydroxyl groups and a cyclopentane ring structure. This compound is typically found in the bile of certain animals and is used in various scientific studies for its biological activity.

What are the main uses of (5beta,20R)-3,7,12-Trioxocholan-24-oic acid (CAS: 81-23-2)?

(5beta,20R)-3,7,12-Trioxocholan-24-oic acid (CAS: 81-23-2) is primarily used in pharmaceutical research for its potential role in metabolic disorders and liver function studies. It also serves as a synthetic intermediate in the development of bile acid analogs and is utilized in biochemical research for studying lipid metabolism and bile acid synthesis pathways.

Is (5beta,20R)-3,7,12-Trioxocholan-24-oic acid (CAS: 81-23-2) safe?

(5beta,20R)-3,7,12-Trioxocholan-24-oic acid (CAS: 81-23-2) is generally considered safe when handled properly in controlled environments. However, like many organic compounds, it requires careful handling to avoid skin and eye contact. Safety data sheets should be consulted for specific protective measures and exposure limits during use.

How should (5beta,20R)-3,7,12-Trioxocholan-24-oic acid (CAS: 81-23-2) be stored?

(5beta,20R)-3,7,12-Trioxocholan-24-oic acid (CAS: 81-23-2) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container away from moisture and light. Storage at temperatures below 25°C is recommended to prevent degradation and ensure long-term integrity.