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3,7,12-TRIHYDROXYCHOLANIC ACID

Cholic acid

CAS: 81-25-4

Molecular Formula: C24H40O5

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  5. 3,7,12-TRIHYDROXYCHOLANIC ACID

3,7,12-TRIHYDROXYCHOLANIC ACID - Names and Identifiers

Name Cholic acid
Synonyms Cholic acid
3,7,12-TRIHYDROXYCHOLANIC ACID
3,7,12-Trihydroxy-cholan-24-oic acid
3A,7A,12A-TRIHYDROXY-5B-CHOLAN-24-OIC ACID
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid
3ALPHA, 7ALPHA, 12ALPHA-TRIHYDROXY-5BETA-CHOLANIC ACID
3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-IC ACID
3ALPHA,7ALPHA,12ALPHA-TRIHYDROXY-5BETA-CHOLAN-24-OIC ACID
5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy-
(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-
(3alpha,5beta,7alpha,8xi,12alpha,20xi)-3,7,12-trihydroxycholan-24-oic acid
(4R)-4-[(3S,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
CAS 81-25-4
EINECS 201-337-8
InChI InChI=1/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

3,7,12-TRIHYDROXYCHOLANIC ACID - Physico-chemical Properties

Molecular FormulaC24H40O5
Molar Mass408.58
Density1.0310 (rough estimate)
Melting Point200-201 °C (lit.)
Boling Point449.08°C (rough estimate)
Specific Rotation(α)36 º (c=0.6, 95% EtOH)
Flash Point9℃
Water Solubility0.28 g/L (15 ºC)
Solubility 1g of cholic acid is soluble in 300ml of ethanol or acetone, 7ml of glacial acetic acid, and a small amount of it is soluble in water.
Vapor Presure4.59E-16mmHg at 25°C
AppearanceWhite or white-like powder
ColorWhite to Brown
Merck14,2203
BRN2822009
pKa4.98(at 20℃)
Storage Condition2-8°C
SensitiveEasily absorbing moisture
Refractive Index1.5800 (estimate)
MDLMFCD00003672
Physical and Chemical Properties
melting point 197-202°C
specific optical rotation 36 ° (c = 0.6, 95% EtOH)
water-soluble 0.28g/L (15°C)
UseAn organic acid with a steroid structure that emulsifies fat and promotes its digestion

3,7,12-TRIHYDROXYCHOLANIC ACID - Risk and Safety

Hazard SymbolsXi - Irritant
Irritant
Risk Codes36/37/38 - Irritating to eyes, respiratory system and skin.
Safety DescriptionS24/25 - Avoid contact with skin and eyes.
S36 - Wear suitable protective clothing.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
UN IDsUN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany2
RTECSFZ9350000
TSCAYes
HS Code29181990

3,7,12-TRIHYDROXYCHOLANIC ACID - Upstream Downstream Industry

Raw MaterialsSulfuric acid
Ethyl Alcohol

3,7,12-TRIHYDROXYCHOLANIC ACID - Reference

Reference
Show more
1. Cao Yan, Song Qingqing, Li Jun, etc. Analysis of chemical constituents of bile acids in yak bile [J]. Chinese Journal of Traditional Chinese Medicine, 44 Vol. 12,, pp. 2538-2543, MEDLINE ISTIC PKU CSCD CA BP, 2019.
2. Li Wei, Jiang Zhenzhen, Li Han, Tu Pengfei, Song Qingqing, Yu Juan, Song Yuelin. Using online pressurized solvent extraction-ultra performance liquid chromatography-ion trap-Time of flight-mass spectrometry for qualitative analysis of chemical composition and grouping [J]. Chromatography, 2021,39(05):478-487.
3. Wang Jian, Sun Yu, Chen Lili, Han Zhenzhen, Sun proficient. Evaluation of different metabolites in processed products of Polygonum multiflorum Thunb based on ~ 1H-NMR metabolomics [J]. Modern medicine and clinic, 2020,35(08):1537-1543.
4. Ling, Ziting, et al. "Fabrication egg white gel hydrolysates-stabilized oil-in-water magnification and characterization of its stability and divergence." Food Hydrocolloids 102 (2020): 105621.https://doi.org/10.1016/j.foodhyd.2019.105621
5. Wu, Wanqin, et al. "Improvement of the probiotic potential and yield of Lactobacillus rhamnosus cells using corn steep liquor." LWT 131 (2020): 109862.https://doi.org/10.1016/j.lwt.2020.109862
6. Lu, Xiaoguang, et al. "Calycosin attenuates doxorubicin-induced cardiotoxicity via autophagy regulation in zebrafish models." Biomedicine & Pharmacotherapy 137 (2021): 111375.https://doi.org/10.1016/j.biopha.2021.111375
7. Song Lin, Tian-yang Wang, Hua-rong Xu, Xin-nong Zhang Qi Wang, Ran Liu, Qing Li, Kai-shun Bi,A systemic combined nontargeted and targeted LC-MS based metabolomic strategy of plasma and liver on pathology exploration of alpha-naphthylisothiocyanate induce
8. [IF=3.935] Ziying Liu et al."Promotion of classic neutral bile acids synthesis pathway is responsible for cholesterol-lowing effect of Si-miao-yong-an decoction: Application of LC-MS/MS method to determine 6 major bile acids in rat liver and plasma."J Pharmaceut Bio
9. [IF=9.147] Ziting Ling et al."Fabrication egg white gel hydrolysates-stabilized oil-in-water emulsion and characterization of its stability and digestibility."Food Hydrocolloid. 2020 May;102:105621
10. [IF=5.396] Shiming Huang et al."A sulfated polysaccharide from Gracilaria Lemaneiformis regulates cholesterol and bile acid metabolism in high-fat diet mice."Food Funct. 2019 Jun;10(6):3224-3236
11. [IF=5.34] Kaihui Zhang et al."A UPLC-MS/MS-based metabolomics analysis of the pharmacological mechanisms of rabdosia serra against cholestasis."Phytomedicine. 2021 Oct;91:153683
12. [IF=4.952] Wanqin Wu et al."Improvement of the probiotic potential and yield of Lactobacillus rhamnosus cells using corn steep liquor."Lwt Food Sci Technol. 2020 Sep;131:109862
13. [IF=3.935] Song Lin et al."A systemic combined nontargeted and targeted LC-MS based metabolomic strategy of plasma and liver on pathology exploration of alpha-naphthylisothiocyanate induced cholestatic liver injury in mice."J Pharmaceut Biomed. 2019 Jul;171:180
14. [IF=3.935] Runjing Zhang et al."Xiaoyan lidan formula ameliorates α-naphthylisothiocyanate-induced intrahepatic cholestatic liver injury in rats as revealed by non-targeted and targeted metabolomics."J Pharmaceut Biomed. 2020 Feb;179:112966
15. [IF=1.618] Chen Mengjun et al."A Powerful HPLC-ELSD Method for Simultaneous Determination of Fecal Bile Acids in T2DM Rats Interfered by Sanhuang Xiexin Tang."J Chromatogr Sci. 2021 Sep;59(9):871-876
16. [IF=5.396] Juan Wu et al."Sargassum fusiforme polysaccharide is a potential auxiliary substance for metformin in the management of diabetes."Food Funct. 2022 Feb;:
17. [IF=6.558] Yan Cao et al."Widely quasi-quantitative analysis enables temporal bile acids-targeted metabolomics in rat after oral administration of ursodeoxycholic acid."ANALYTICA CHIMICA ACTA. 2022 Jun;1212:339885

3,7,12-TRIHYDROXYCHOLANIC ACID - Nature

Open Data Verified Data

and this product exists in the bile of cattle, sheep and pigs. Colorless flakes or white crystalline powder. The taste is first sweet and then bitter. The melting point of the anhydrous is 198 degrees C, and the specific optical rotation is 37. (In ethanol). pK. 6.4. Soluble in solutions of alkali metal hydroxides or carbonates.

Last Update：2024-01-02 23:10:35

3,7,12-TRIHYDROXYCHOLANIC ACID - Preparation Method

Open Data Verified Data

there are ethanol crystallization method and ethyl acetate separation method. The ethyl acetate separation method is to remove deoxycholic acid by dissolving ethyl acetate, and then further purify the product with ethanol. Add 1/10 sodium hydroxide to the bile of cattle and sheep, heat to boiling, and hydrolyze for 18h. The hydrolysate was cooled, the supernatant was decanted, and the lower layer was filtered. The supernatant was combined with the filtrate, and 30% sulfuric acid was added to bring the pH to 2-3, at which time crude cholic acid was floating in the liquid layer. Take the floating material, add the same amount of water to boil for 10~20min to make granular precipitation, then repeatedly rinse with water to neutral, and dry at 50~60 ℃ to obtain crude bile acid. The crude bile acid was crushed, added with 0. 75 times 75% ethanol, heated and stirred, and refluxed until the solid matter was sufficiently dissolved, and then crystallized at 0~5 °c. The crystals were filtered by suction or centrifugal spin drying, washed with a small amount of 80% ethanol and dried to obtain crude crystals of cholic acid. Take the crude crystals of cholic acid, add 4 times the amount of 95% ethanol and 4%~ 5% activated carbon, heat, stir, reflux, and filter while hot after fully dissolved. The filtrate was concentrated to about 1/4 of the volume and crystallized at 0-5 °c.

Last Update：2022-01-01 11:13:59

3,7,12-TRIHYDROXYCHOLANIC ACID - Use

Open Data Verified Data

This product can be used as emulsifier.

Last Update：2022-01-01 11:14:00
3,7,12-TRIHYDROXYCHOLANIC ACID
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Nantong Reform Petro-Chemical CO., LTD.
Spot supply
Product Name: Cholic acid Request for quotation
CAS: 81-25-4
Tel: +86-17551318830
Email: r@reformchem.com­
Mobile: +86-17551318830
QQ: 3785839865 Click to send a QQ messageSend QQ message
Jiangsu Pules Biotechnology Co.,Ltd.
Product Name: Cholic acid Request for quotation
CAS: 81-25-4
Tel: 17505222756
Email: pules.cn@gmail.com
Mobile: +86-17551318830
Wechat: 17505222756
Hubei YoungXin Pharmaceutical Tech Co.,Ltd.
Spot supply
Product Name: Chenodeoxycholic Acid Impurity 2(Chenodeoxycholic Acid EP Impurity B) Visit Supplier Webpage Request for quotation
CAS: 81-25-4
Tel: 0714-3999186
Email: 2853786052@qq.com
Mobile: 86+15671228036
QQ: 2853786052 Click to send a QQ message
Wechat: 15671228036
Guangzhou Yuanda New Material Co.,Ltd
Product Name: Cholic acid Request for quotation
CAS: 81-25-4
Tel: +86 19849939632
Email: 2470479589@qq.com
Mobile: +86 19849939632
QQ: 2470479589 Click to send a QQ message
Wechat: +86 19849939632
Hefei TNJ Chemical Industry Co.,Ltd.
Product Name: Cholic acid Request for quotation
CAS: 81-25-4
Tel: 0086-551-65418684
Email: sales@tnjchem.com
　　　　 info@tnjchem.com
Mobile: 0086 189 4982 3763
QQ: 2881500840 Click to send a QQ message
Wechat: 0086 189 4982 3763
WhatsApp: 0086 189 4982 3763
Product List: View Catalog
Shanghai Yuanye Bio-Technology Co., Ltd.
Multiple SpecificationsSpot supply
Product Name: Cholic acid Visit Supplier Webpage Request for quotation
CAS: 81-25-4
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409 Click to send a QQ message
Wechat: 18301782025
Zouping Mingxing Chemical Co., Ltd.
Product Name: Cholic acid Request for quotation
CAS: 81-25-4
Tel: 0086-13605431940
Email: xuli678323@126.com
Mobile: +86-13605431940
QQ: 56860987 Click to send a QQ message
Wechat: 13605431940
WhatsApp: 13605431940
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3,7,12-TRIHYDROXYCHOLANIC ACID
Raw Materials for 3,7,12-TRIHYDROXYCHOLANIC ACID
Sulfuric acid
Ethyl Alcohol
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