(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-oic acid | CAS No. 81-25-4

(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholan-24-oic acid

Basic Information

CAS Number

81-25-4

Molecular Formula

C24H40O5

Molecular Weight

408.58 g/mol

AD

Basic Physical Properties

Physical State

White powder

Melting Point

200-201 °C

Boiling Point

583.8℃ at 760 mmHg

Density

1.0310 (rough estimate)

Water Solubility

0.28 g/L (15 ºC)

Flash Point

9℃

Solubility

methanol: 0.1 g/mL, clear

Refractive Index

1.5800 (estimate)

Vapor Pressure

9.66X10-15 mm Hg at 25 °C (est)

Specific Rotation

36 º (c=0.6, 95% EtOH)

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

InChI

InChI=1S/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

InChIKey

BHQCQFFYRZLCQQ-OELDTZBJSA-N

LogP

3.4487000000000023

pKa

4.98(at 20℃)

Topological Polar Surface Area

97.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

637

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

2-8℃

Synonyms & References

English

  • Cholic acid
  • 3,7,12-TRIHYDROXYCHOLANIC ACID
  • 3A,7A,12A-TRIHYDROXY-5B-CHOLAN-24-OIC ACID
  • 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-IC ACID 3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-OIC ACID
  • 3ALPHA, 7ALPHA, 12ALPHA-TRIHYDROXY-5BETA-CHOLANIC ACID
  • 5-BETA-CHOLANIC ACID-3-ALPHA, 7-ALPHA, 12-ALPHA-TRIOL 7-ALPHA,8-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLAN-24-OIC ACID
  • CHOLALIN cholan-24-oic acid
  • CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3,5,7,12)- CHOLIC ACID
  • 3,7,12-Trihydroxy-cholan-24-oic acid
  • 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy- Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)- 12α-Trihydroxy-5β-cholan-24-oic acid. 3α,7α,12α-Trihydroxy-5α-cholanic acid, Cholic acd
  • Cyclosphorine
  • (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • CHOLIC ACID(P)
  • CHOLIC ACID(RG)
  • AHR 3053-13C3
  • CHOLALIC ACID
  • CHOLALIN
  • CHOLATE
  • Cholic acd
  • Cholic&Cyclosphorine
  • Cholan-24-oic acid
  • Ursodeoxycholic acid EP Impurity B
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
  • Colalin
  • Cholsaeure
  • Cholbam
  • Cholic acid, 5beta-
  • SODIUM CHOLATE
  • Cholic acid [USAN]
  • G1JO7801AE
  • NSC6

MDL Number

MFCD00003672

Customs Code

2942000000

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...