7-Keto-3α,12-α-dihydroxycholanic Acid
7-Keto-3α,12-α-dihydroxycholanic Acid structure
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Common Name | 7-Keto-3α,12-α-dihydroxycholanic Acid | ||
|---|---|---|---|---|
| CAS Number | 911-40-0 | Molecular Weight | 406.55600 | |
| Density | 1.18g/cm3 | Boiling Point | 583ºC at 760mmHg | |
| Molecular Formula | C24H38O5 | Melting Point | 54-60ºC | |
| MSDS | N/A | Flash Point | 320.4ºC | |
Use of 7-Keto-3α,12-α-dihydroxycholanic Acid7-keto-lithocholic acid is a metabolite of bile acids in Clostridium absonum. 7-keto-lithocholic acid is also converted from Lactobacillus and Bifidobacterium with specific condition[1][2]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3α,12α-dihydroxy-7-oxo-5β-cholanic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 7-keto-lithocholic acid is a metabolite of bile acids in Clostridium absonum. 7-keto-lithocholic acid is also converted from Lactobacillus and Bifidobacterium with specific condition[1][2]. |
|---|---|
| Related Catalog | |
| In Vitro | 7-keto-lithocholic acid shows an increasing bioconversion rate with addition of an equimolar concentration of deoxycholic acid (which itself is not metabolized)[1]. 7-keto-lithocholic acid is induced by deoxycholic acid and then it's metabolized[1]. E. lentum-like c-25 converts 81.7% of 2 mM cholic acid to deoxycholic acid and 3.7% to 7-keto-deoxycholic acid under anaerobic incubation[2]. E. lentum-like c-25 converts 91.5% of 150 mg/mL cholic acid to deoxycholic acid and 1.1% to 7-keto-deoxycholic acid under anaerobic incubation[2]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.18g/cm3 |
|---|---|
| Boiling Point | 583ºC at 760mmHg |
| Melting Point | 54-60ºC |
| Molecular Formula | C24H38O5 |
| Molecular Weight | 406.55600 |
| Flash Point | 320.4ºC |
| Exact Mass | 406.27200 |
| PSA | 94.83000 |
| LogP | 3.65690 |
| Index of Refraction | 1.55 |
| InChIKey | RHCPKKNRWFXMAT-RRWYKFPJSA-N |
| SMILES | CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CC(O)C12C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | T |
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 3 | |
CAS#:81-25-4
CAS#:2955-27-3
CAS#:133181-57-4This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid |
| 7-Ketodeoxycholic acid |
| 7-ketodeoxycholate |
| (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 7-oxodeoxycholate |
| 3alpha,12alpha-Diol-7-one-5beta-cholanoic acid |
| 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid |
| 7-Oxodeoxycholic acid |
| 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid |
| 3a,12a-dihydroxy-7-oxo-5b-cholan-24-oic acid |
| 7-Keto-3α,12-α-dihydroxycholanic Acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: Polar surface area (PSA) of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is 94.83000. |
| Q: What are the uses of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: Main uses of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid: 7-keto-lithocholic acid is a metabolite of bile acids in Clostridium absonum. 7-keto-lithocholic acid is also converted from Lactobacillus and Bifidobacterium with specific condition[1][2]. |
| Q: What is the LogP of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: LogP of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is 3.65690. |
| Q: What are the downstream products of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: Related downstream products(CAS) of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid: 81-25-4;2955-27-3;133181-57-4. |
| Q: What is the boiling point of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: Boiling point of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is 583ºC at 760mmHg. |
| Q: What is the molecular weight of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: Molecular weight of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is 406.55600. |
| Q: What is the SMILES notation of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: SMILES notation of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CC(O)C12C. |
| Q: What is the molecular formula of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: Molecular formula of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is C24H38O5. |
| Q: What is the melting point of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: Melting point of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is 54-60ºC. |
| Q: What is the InChIKey of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid? |
| A: InChIKey of 3α,12α-dihydroxy-7-oxo-5β-cholanic acid is RHCPKKNRWFXMAT-RRWYKFPJSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |