Description

Methyl 3-oxo-4-androstene-17beta-carboxylate (CAS 2681-55-2) is a high-purity steroid derivative with the molecular formula C₂₁H₃₀O₃. This compound is characterized by its androstene backbone featuring a 3-oxo group and a 17beta-carboxylate methyl ester moiety, making it a valuable intermediate in steroid chemistry and pharmaceutical research. With an IUPAC name of methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for researchers investigating steroid metabolism, hormone analogs, or synthetic pathways, this product is rigorously tested for identity, purity, and stability. Store in a tightly sealed container at 2-8°C, protected from light and moisture.

Properties

• CAS Number: 2681-55-2
• Complexity: 606
• IUPAC Name: methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate
• InChI: InChI=1S/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1
• InChI Key: XWFWMYFLNHTEBF-YFWFAHHUSA-N
• Exact Mass: 330.21949481
• Molecular Formula: C21H30O3
• Molecular Weight: 330.5
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CCC4=CC(=O)CC[C@]34C
• Topological: 43.4
• Monoisotopic Mass: 330.21949481
• Synonyms: 2681-55-2, Methyl 3-oxo-4-androstene-17beta-carboxylate, Methyl-3-oxo-4-androstene-17beta-carboxylate, methyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate, CHEMBL3349078, Methyl-3-xox-4-androsten-17beta-carboxylate, Methyl 3-oxo-4-androsten-17beta-carboxylate, methyl 3-oxo-4-androstene-17|A-carboxylate, methyl 4-androsten-3-one-17beta-carboxylate, CHEMBL309590, SCHEMBL7614985, DTXSID50949612, XWFWMYFLNHTEBF-YFWFAHHUSA-N, BCP09824, EX-A1945, Androst-4-ene-17-carboxylic acid, 3-oxo-, methyl ester, (17beta)-, BDBM50025394, MFCD00200877, AKOS015896556, 3-Keto-4-etiocholenic acid methylester, AS-16006, FK152624, Methyl 3-oxo-4-androstene-17-carboxylate, Methyl 3-oxoandrost-4-ene-17-carboxylate, Methyl-3-xox-4-androsten-17|A-carboxylate, CS-0028588, Methyl-3-Oxo-4-androstene-17|A-carboxylate, E83817, Methyl androst-4-ene-3-one-17beta-carboxylate, Methyl 3-oxo-4-androstene-17.beta.-carboxylate, Methyl 4-androsten-3-one 17-carboxylate; Org 7329-0, 10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester

Application

Methyl 3-oxo-4-androstene-17beta-carboxylate serves as a key synthetic precursor in the development of steroidal drugs and hormone analogs. Researchers utilize this compound to study structure-activity relationships (SAR) in androgen and glucocorticoid receptor modulation. It is also employed in the synthesis of novel anti-inflammatory or anabolic agents due to its modifiable 3-oxo and 17beta-ester functional groups. Additionally, this intermediate finds use in metabolic studies of steroid derivatives in biochemical research.

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