CAS Number4651-67-6
Synonyms3-Hydroxy-7-oxocholan-24-oic acid; 3α-Hydroxy-7-keto-5β-cholanic Acid; EINECS 225-083-2; 3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID; 4-(3-Hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; 3α-Hydroxy-7-oxo-5β-cholanic Acid; 3a-Hydroxy-7-oxo-5b-cholanic acid
Molecular FormulaC24H38O4
Molecular Weight390.56
Purity>99 (TLC)%
Density1.1±0.1 g/cm3
Boiling Point545.9±25.0 °C at 760 mmHg
Melting Point205ºC
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 4651-67-6 |
| Catalog No. | 2A-9079406 |
| Chinese Name | 3α-羟基-7-氧代-5β-胆烷酸 |
| Synonyms | 3-Hydroxy-7-oxocholan-24-oic acid; 3α-Hydroxy-7-keto-5β-cholanic Acid; EINECS 225-083-2; 3ALPHA-HYDROXY-7-OXO-5BETA-CHOLANIC ACID; 4-(3-Hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid; 3α-Hydroxy-7-oxo-5β-cholanic Acid; 3a-Hydroxy-7-oxo-5b-cholanic acid |
| Molecular Formula | C24H38O4 |
| Molecular Weight | 390.56 |
| Purity | >99 (TLC) |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 545.9±25.0 °C at 760 mmHg |
| Melting Point | 205ºC |
| Appearance | powder |
| Storage Condition | Store at room temperature, away from light, in a v |
| Application | 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid) is a bile acid that can be absorbed and inhibits endogenous bile acid production and bile cholesterol secretion. |
| HTC | 2918990090 |
| PubChem ID | 7851037 |
| MDL Number | MFCD00271393 |
| SMILES | [H][C@@]12[C@]([C@](CC[C@@H](O)C3)(C)[C@]3([H])CC2=O)([H])CC[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O |
| InChI | InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28) |
| InChI Key | DXOCDBGWDZAYRQ-AURDAFMXSA-N |
| NACRES Code | NA.25 |
| UNSPSC | 12352211 |
| Bioactivity | 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2]. Related Catalog Research Areas >> Metabolic Disease Target Human Endogenous Metabolite In Vitro Bile acids are main components of mammalian bile. They are steroid carboxylic acids that synthesized from cholesterol in liver tissue[1]. References [1]. Choucair I, et al. Quantification of bile acids: a mass spectrometry platform for studying gut microbe connectionto metabolic diseases. J Lipid Res. 2020 Feb;61(2):159-177. [2]. Salen G, et al. Effect of 7-ketolithocholic acid on bile acid metabolism in humans. Gastroenterology. 1982 Aug;83(2):341-7. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 545.9±25.0 °C at 760 mmHg Melting Point 205ºC Molecular Formula C24H38O4 Molecular Weight 390.556 Flash Point 298.0±19.7 °C Exact Mass 390.277008 PSA 74.60000 LogP 4.25 Vapour Pressure 0.0±3.3 mmHg at 25°C Index of Refraction 1.535 InChIKey DXOCDBGWDZAYRQ-AURDAFMXSA-N SMILES CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C |
| Use of | 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2]. Properties Name 7-oxolithocholic acid Synonym More Synonyms 7-Ketolithocholic acid Biological Activity Description 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2]. Related Catalog Research Areas >> Metabolic Disease Human Endogenous Metabolite In Vitro Bile acids are main components of mammalian bile. They are steroid carboxylic acids that synthesized from cholesterol in liver tissue[1]. References [1]. Choucair I, et al. Quantification of bile acids: a mass spectrometry platform for studying gut microbe connectionto metabolic diseases. J Lipid Res. 2020 Feb;61(2):159-177. [2]. Salen G, et al. Effect of 7-ketolithocholic acid on bile acid metabolism in humans. Gastroenterology. 1982 Aug;83(2):341-7. Chemical & Physical Properties Molecular Formula C24H38O4 Exact Mass 390.277008 PSA 74.60000 Index of Refraction 1.535 InChIKey DXOCDBGWDZAYRQ-AURDAFMXSA-N |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified |
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