(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid | CAS No. 80434-32-8

(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid

Basic Information

CAS Number

80434-32-8

Molecular Formula

C24H40O5

Molecular Weight

408.58 g/mol

AD

Basic Physical Properties

C[C@H](CCC(O)=O)C1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC(O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1

InChIKey

DAKYVYUAVGJDRK-FPUZENINSA-N

LogP

3.4487000000000023

Topological Polar Surface Area

97.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 5

Synonyms & References

English

  • (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • 1β-Hydroxydeoxycholic Acid
  • (1β,3α,5β,12α)-1,3,12-Trihydroxycholan-24-oic acid

MDL Number

MFCD31561961

FAQ

What is (1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid (CAS: 80434-32-8)?

(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid is a steroidal acid with the CAS number 80434-32-8. It is a naturally occurring compound that belongs to the cholate group of bile acids, characterized by its three hydroxyl groups and the 24-carboxylic acid function. This compound is typically colorless and is soluble in organic solvents.

What are the main uses of (1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid (CAS: 80434-32-8)?

(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other bile acid derivatives. It is also utilized in some research applications for studying bile acid metabolism and related physiological functions.

Is (1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid (CAS: 80434-32-8) safe?

(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid is generally considered safe when handled with appropriate precautions. However, it is important to follow all safety guidelines, including wearing protective gloves and goggles. Exposure to high temperatures or direct sunlight should be avoided to prevent degradation of the compound.

How should (1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid (CAS: 80434-32-8) be stored?

(1beta,3alpha,5beta,12alpha)-1,3,12-Trihydroxycholan-24-oic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to protect it from moisture and ensure its stability. The recommended storage temperature is between 15°C and 25°C (59°F and 77°F).

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