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CAS 2061-46-3

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(3beta)-17-ethynyl-3-hydroxyestr-4-en-17-yl acetate

Description:
The chemical substance known as (3beta)-17-ethynyl-3-hydroxyestr-4-en-17-yl acetate, with the CAS number 2061-46-3, is a synthetic derivative of estrogen, specifically a modified form of estradiol. This compound features an ethynyl group at the 17 position and an acetate group at the hydroxyl position, which enhances its oral bioavailability and metabolic stability compared to natural estrogens. It exhibits estrogenic activity, making it useful in various therapeutic applications, particularly in hormone replacement therapy and contraceptive formulations. The structural modifications contribute to its potency and selectivity for estrogen receptors, influencing various physiological processes such as reproductive health, bone density maintenance, and regulation of the menstrual cycle. Additionally, its pharmacokinetic properties allow for effective absorption and distribution within the body, making it a significant compound in endocrinology and gynecology. As with many synthetic hormones, careful consideration of dosage and potential side effects is essential in clinical use.
Formula:C22H30O3
InChI:InChI=1/C22H30O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,16-20,24H,5-12H2,2-3H3/t16-,17-,18+,19+,20-,21-,22?/m0/s1
InChI key:WJCWCFAFTXVJQT-KAKDVIIHSA-N
SMILES:CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C[C@H](CC[C@H]34)O)C)C#C
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