Description

17-Acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydrocyclopenta(a)phenathren-3-one (CAS No. 117048-56-3) is a high-purity synthetic steroid derivative with the molecular formula C₂₁H₂₄O₂. This compound features a complex cyclopenta[a]phenanthrene core structure, characterized by a 17-acetyl group and a 3-keto functionality, making it a valuable intermediate in pharmaceutical research and steroid chemistry. Its unique tetracyclic framework is optimized for use in hormone-related studies, drug development, and biochemical applications. Supplied as a fine white to off-white crystalline powder, it is rigorously tested for purity (≥98% by HPLC) and stability, ensuring reliable performance in sensitive experiments. Suitable for use in LC/MS, NMR, and other analytical techniques.

Properties

• CAS Number: 117048-56-3
• Complexity: 733
• IUPAC Name: (8S,10S,13S,14S)-17-acetyl-10,13-dimethyl-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
• InChI: InChI=1S/C21H24O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,8-10,12,16,18H,4-5,7,11H2,1-3H3/t16-,18-,20-,21+/m0/s1
• InChI Key: DNUWMYUNKVSEGO-BVPXEZJJSA-N
• Exact Mass: 308.177630004
• Molecular Formula: C21H24O2
• Molecular Weight: 308.4
• SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C
• Topological: 34.1
• Monoisotopic Mass: 308.177630004
• Synonyms: 117048-56-3, 17-Acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydrocyclopenta[a]phenathren-3-one, 17-Acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydrocyclopenta(a)phenathren-3-one, 690-795-6, Pregna-1,4,9(11),16-tetraene-3,20-dione, (8S,10S,13S,14S)-17-acetyl-10,13-dimethyl-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one, 1,4,9(11),16-Tetraenepregna-3,20-dione, 823PG2W4AU, SCHEMBL28944685, FP27146, CS-0452406, (8S,10S,13S,14S)-17-acetyl-10,13-dimethyl-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-3-one

This compound serves as a key intermediate in the synthesis of steroidal pharmaceuticals, particularly in the development of anti-inflammatory and hormonal therapies. Researchers utilize it to investigate structure-activity relationships (SAR) in steroid receptor binding studies. It is also employed in metabolic pathway analysis and as a reference standard in analytical chemistry.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Precautionary Statements

• P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Skin Sens. 1 (50%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)
• Repr. 2 (100%)

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