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CAS 63042-18-2

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Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate

Description:
Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate, identified by CAS number 63042-18-2, is a synthetic steroid compound that belongs to the class of estrogens. This compound features a steroid backbone with specific functional groups, including benzoate and butanoate esters, which influence its solubility and biological activity. The presence of hydroxyl groups at the 3 and 17 positions contributes to its estrogenic properties, making it relevant in pharmacology, particularly in hormone replacement therapies and contraceptive formulations. The structural configuration, including the triene system, is crucial for its interaction with estrogen receptors, affecting its potency and efficacy. Additionally, the compound's lipophilicity, derived from the ester groups, may enhance its absorption and distribution in biological systems. Overall, Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate exemplifies the complexity of steroid chemistry and its applications in medicine.
Formula:C29H34O4
InChI:InChI=1S/C29H34O4/c1-3-7-27(30)33-26-15-14-25-24-12-10-20-18-21(32-28(31)19-8-5-4-6-9-19)11-13-22(20)23(24)16-17-29(25,26)2/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1
InChI key:InChIKey=MKYFGNOOEKZNPW-ZRJUGLEFSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(=O)C5=CC=CC=C5)=CC4)(CC1)[H])[H])(CC[C@@H]2OC(CCC)=O)[H]
Synonyms:
  • (17Beta)-17-(Butanoyloxy)Estra-1,3,5(10)-Trien-3-Yl Benzoate
  • (17β)-17-(Butyryloxy)estra-1,3,5(10)-trien-3-yl benzoate
  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-benzoate 17-butanoate
  • Estra-1,3,5(10)-triene-3,17-diol (17β)-, 3-benzoate 17-butanoate
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-benzoate 17-butyrate
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