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Atomfair (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid C26H40O4 CAS 1516887-33-4

(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid (CAS No. 1516887-33-4) is a high-purity steroidal compound with the molecular formula C26H40O4. This specialized chemical features a complex cyclopenta[a]phenanthrene backbone with key functional groups including a hydroxyl (-OH), oxo (=O), and ethylidene (C=CH-CH3) moiety, making it valuable for advanced biochemical research and pharmaceutical development. Our product undergoes rigorous QC testing (HPLC, NMR) to ensure ≥95% purity, supplied as a stable crystalline solid under inert packaging. Ideal for studies on steroid metabolism, receptor interactions, or as a synthetic intermediate for modified bile acids.

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Description

(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid (CAS No. 1516887-33-4) is a high-purity steroidal compound with the molecular formula C26H40O4. This specialized chemical features a complex cyclopenta[a]phenanthrene backbone with key functional groups including a hydroxyl (-OH), oxo (=O), and ethylidene (C=CH-CH3) moiety, making it valuable for advanced biochemical research and pharmaceutical development. Our product undergoes rigorous QC testing (HPLC, NMR) to ensure ≥95% purity, supplied as a stable crystalline solid under inert packaging. Ideal for studies on steroid metabolism, receptor interactions, or as a synthetic intermediate for modified bile acids.

Properties

  • CAS Number: 1516887-33-4
  • Complexity: 741
  • IUPAC Name: (4R)-4-[(3R,5R,6E,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • InChI: InChI=1S/C26H40O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h5,15-16,18-21,23,27H,6-14H2,1-4H3,(H,28,29)/b17-5+/t15-,16-,18-,19+,20+,21+,23+,25-,26-/m1/s1
  • InChI Key: RDCBMNFSJFALPG-VRYJCBLKSA-N
  • Exact Mass: 416.29265975
  • Molecular Formula: C26H40O4
  • Molecular Weight: 416.6
  • SMILES: C/C=C/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)O)C)C)O
  • Topological: 74.6
  • Monoisotopic Mass: 416.29265975
  • Synonyms: 1516887-33-4, (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid, (4R)-4-[(3R,5R,6E,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, (E)-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic acid, (R)-4-((3R5R8S9S10R13R14S17RE)-6-Ethylidene-3-hydroxy-1013-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid, SCHEMBL17445150, RDCBMNFSJFALPG-VRYJCBLKSA-N, C26H40O4, AKOS026674092, DS-9964, F11527, E-3alpha-hydroxy-6-ethylidene-7-keto-5beta-cholan-24-oic acid, (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoicacid

This compound serves as a critical intermediate in the synthesis of modified bile acid derivatives for investigating liver function and cholesterol metabolism. Researchers utilize its unique ethylidene and keto groups to study steroid-protein binding affinities. It may also act as a precursor for novel anti-inflammatory or metabolic disorder therapeutics due to its structural similarity to endogenous sterols.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

  • P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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