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Metabolites & Degradation Products

(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester

Reference StandardAvailable on request

Buy (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester (CAS 459789-97-0) from Zemixal. Request a quote with price, lead time and documents.

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(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester chemical structure
CAS number459789-97-0
FormulaC28H46O4
Molar mass446.7 g/mol
Physical formSolid
HS code38229090
InChIKeyPRZCLWHVOYRZJL-GAKWKJAJSA-N
IUPAC nameethyl (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

About (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester

(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester belongs to the Obeticholic Acid reference-standard family in the Zemixal catalogue. For your records (Reference Standard), the material is defined by CAS 459789-97-0, formula C28H46O4 and molar mass 446.7 g/mol. It is handled as a solid.

Use cases we see most often

  • Metabolite identification
  • Stability-indicating methods
  • Impurity profiling

Safe handling

Classified under GHS with signal word Warning and hazard statements H373. Read the SDS before first use.

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. Every shipment includes a certificate of analysis with characterisation data. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Reference standards for Obeticholic Acid

See every impurity, metabolite and related compound we list for this API.

Obeticholic Acid standards

Typical uses

  • Metabolite identification
  • Stability-indicating methods
  • Impurity profiling

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester
Product name(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester
Catalogue numberZX-032948
CAS number459789-97-0
IUPAC nameethyl (4R)-4-[(3R,5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Molecular formulaC28H46O4
Molar mass446.7 g/mol
Exact mass446.3396
GradeReference Standard
Physical formSolid
XLogP36.3
H-bond donors / acceptors1 / 4
Topological polar surface area63.6 Ų
HS code38229090
InChIKeyPRZCLWHVOYRZJL-GAKWKJAJSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)OCC)C)C)O
PubChem CID11328310
SynonymsEthyl, Obeticholic Acid 6-EE Ester, (3Alpha,5beta,6alpha)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid ethyl ester

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS08 Health hazard
Health hazard

Signal word Warning

  • H373May causes damage to organs through prolonged or repeated exposure

Precautionary statements P260, P319, 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

Pack sizes of (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester
10 mgQuoted on request
25 mgQuoted on request
50 mgQuoted on request
100 mgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester

Which CAS number identifies (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester?
(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester is registered under CAS 459789-97-0. You may also see it listed as Ethyl, Obeticholic Acid 6-EE Ester, (3Alpha,5beta,6alpha)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid ethyl ester. Our catalogue number for this item is ZX-032948.
What are the formula and molar mass of (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester?
For (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester, its formula is C28H46O4 and its molar mass is 446.7 g/mol. InChIKey PRZCLWHVOYRZJL-GAKWKJAJSA-N lets you match it in any structure database.
How is (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester used in pharmaceutical QC?
(3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester 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 (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester?
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 (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester?
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 (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester to my country?
Yes. Because (3α,5β,6α)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid Ethyl Ester 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.

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