Cholic acid

The Cholic acid, with the CAS registry number 81-25-4, is also known as Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-. Its EINECS registry number is 201-337-8. This chemical's molecular formula is C₂₄H₄₀O₅ and molecular weight is 408.5714. Its IUPAC name is called (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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. This chemical's classification code is Mutation data. Meanwhile, this product can be used as emulsifier.

Physical properties of Cholic acid: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.064; (3)ACD/LogD (pH 7.4): 0.268; (4)ACD/BCF (pH 5.5): 13.885; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 133.915; (7)ACD/KOC (pH 7.4): 2.137; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 111.241 cm³; (13)Molar Volume: 344.844 cm³; (14)Surface Tension: 50.874 dyne/cm; (15)Density: 1.185 g/cm³; (16)Flash Point: 320.956 °C; (17)Enthalpy of Vaporization: 100.176 kJ/mol; (18)Boiling Point: 583.876 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Cholic acid: the process of ethanol crystallization method are: (1)Hydrolysis of cattle, sheep bile acid; (2)Acidification of sodium hydroxide; (3)Dissolution, crystallization heavy crystallization of sulfuric acid crude bile acid; (4)Ethanol refined bile acid.

Cholic acid, along with chenodeoxycholic acid, is one of two major bile acids produced by the liver where it is synthesized from cholesterol. These derivatives are made from cholyl-CoA, which forms a conjugate with either glycine, or taurine, yielding glycocholic and taurocholic acid respectively. Cholic acid downregulates cholesterol-7-α-hydroxylase (rate-limiting step in bile acid synthesis), and cholesterol does the opposite. This is why chenodeoxycholic acid, and not cholic acid, can be used to treat gallstones (because decreasing bile acid synthesis would supersaturate the stones even more). Cholic acid and chenodeoxycholic acid are the most important human bile acids. Some other mammals synthesize predominantly deoxycholic acid.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
(2)Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4C@@]3(CC[C@H](C4)O)C)O)O)C
(3)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
(4)InChIKey: BHQCQFFYRZLCQQ-OELDTZBJSA-N

The toxicity data is as follows: