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CAS 115375-60-5

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3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate

Description:
3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate, with the CAS number 115375-60-5, is a synthetic steroid derivative that features a complex structure characteristic of androgens. This compound is notable for its trifluoromethanesulfonate (triflate) group, which enhances its reactivity and solubility in organic solvents, making it useful in various chemical reactions, particularly in the field of medicinal chemistry. The presence of the acetoxy group at the 3β position contributes to its stability and potential biological activity. As a steroid, it may exhibit hormonal properties, influencing various physiological processes. Its unique structural features allow it to serve as a valuable intermediate in the synthesis of other steroidal compounds or as a tool in biochemical research. However, due to its specific functional groups, it may also pose challenges in terms of handling and safety, necessitating appropriate precautions during laboratory use. Overall, this compound exemplifies the intricate relationship between structure and function in steroid chemistry.
Formula:C22H29F3O5S
InChI:InChI=1S/C22H29F3O5S/c1-13(26)29-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(21(17,3)11-9-18(16)20)30-31(27,28)22(23,24)25/h4,7,15-18H,5-6,8-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
InChI key:InChIKey=MCIVSCZCJRGEJR-ZKHIMWLXSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)(CC1)[H])[H])(CC=C2OS(C(F)(F)F)(=O)=O)[H]
Synonyms:
  • (3β)-17-{[(Trifluoromethyl)sulfonyl]oxy}androsta-5,16-dien-3-yl acetate
  • 3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate
  • Androsta-5,16-diene-3,17-diol, 3-acetate 17-(trifluoromethanesulfonate), (3β)-
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