(3a,5β)-6-Ethylidene-3-Hydroxy-7-Oxocholan-24-Oic Acid
- CAS
- 915038-24-3
- Formula
- C26H40O4
- MW
- 416.6 g/mol
ZX-030913
Metabolites & Degradation Products
3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid
Reference StandardAvailable on request
Buy 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid (CAS 4185-00-6) from Zemixal. Lab and bulk packs, batch COA, fast global delivery.
CAS number4185-00-6
FormulaC24H38O4
Molar mass390.6 g/mol
Physical formSolid
HS code38229090
InChIKeyKNVADAPHVNKTEP-CIGXQKLNSA-N
IUPAC name(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
About 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid
Analytical teams working on Obeticholic Acid use 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid as a qualified comparison standard. Key data (Reference Standard): CAS 4185-00-6, formula C24H38O4 and molar mass 390.6 g/mol. It is handled as a solid.
Use cases we see most often
- Metabolite identification
- Stability-indicating methods
- Impurity profiling
Safe handling
It carries the GHS signal word Warning (H317 and H319), so wear gloves and eye protection and work with good ventilation.
Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and custom quantities are quoted on request. You receive a certificate of analysis with characterisation data with each order. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.
Reference standards for Obeticholic Acid
See every impurity, metabolite and related compound we list for this API.
Obeticholic Acid standardsTypical uses
- Metabolite identification
- Stability-indicating methods
- Impurity profiling
Applications
Specifications and identifiers
| Product name | 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid |
|---|---|
| Catalogue number | ZX-030914 |
| CAS number | 4185-00-6 |
| IUPAC name | (4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Molecular formula | C24H38O4 |
| Molar mass | 390.6 g/mol |
| Exact mass | 390.277 |
| Grade | Reference Standard |
| Physical form | Solid |
| XLogP3 | 4.5 |
| H-bond donors / acceptors | 2 / 4 |
| Topological polar surface area | 74.6 Ų |
| HS code | 38229090 |
| InChIKey | KNVADAPHVNKTEP-CIGXQKLNSA-N |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C |
| PubChem CID | 5283932 |
| Synonyms | 3-Oxo-7a-hydroxy-5-β-cholanoic Acid, 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, 3-oxochenodeoxycholic acid, (5beta,7alpha)-7-hydroxy-3-oxocholan-24-oic acid, Dehydrochenodeoxycholic acid, 3-Oxo-7alpha-hydroxycholan-24-oic acid, 3-dehydrochenodeoxycholic acid, Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5beta,7alpha)-, 7a-Hydroxy-3-oxo-5b-cholanoic acid, 3-Oxo-7a-hydroxy-5b-cholanoic Acid, 3-Keto-CDCA, 3-oxo-chenodeoxycholic acid |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- H317May cause an allergic skin reaction
- H319Causes serious eye irritation
Precautionary statements P261, P264 + P265, P272, P280, P302 + P352, P305 + P351 + P338, P321, P333 + P317, P337 + P317, P362 + P364, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid
Which CAS number identifies 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid?
3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is registered under CAS 4185-00-6. You may also see it listed as 3-Oxo-7a-hydroxy-5-β-cholanoic Acid, 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, 3-oxochenodeoxycholic acid. Our catalogue number for this item is ZX-030914.
What are the formula and molar mass of 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid?
For 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid, its formula is C24H38O4 and its molar mass is 390.6 g/mol. InChIKey KNVADAPHVNKTEP-CIGXQKLNSA-N lets you match it in any structure database.
How is 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid used in pharmaceutical QC?
3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is a characterised reference material linked to Obeticholic Acid. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid to my country?
Yes. Because 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.
More Obeticholic Acid standards
More in Metabolites & Degradation Products
(E/Z)-3-alpha-hydroxy-6-ethylidene-7-keto-5-beta-cholan-24-oic acid Methyl ester
- CAS
- 863239-59-2
- Formula
- C27H42O4
- MW
- 430.6 g/mol
ZX-030916
(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester
- CAS
- 459789-97-0
- Formula
- C28H46O4
- MW
- 446.7 g/mol
ZX-032948
(E)-3alpha-Hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic Acid
- CAS
- 1516887-33-4
- Formula
- C26H40O4
- MW
- 416.6 g/mol
ZX-025896
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