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CAS 93963-74-7

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Pregna-1,4-dien-3-one, 21-(acetyloxy)-11,17,20-trihydroxy-6-methyl-, (6α,11β,20R)-

Description:
Pregna-1,4-dien-3-one, 21-(acetyloxy)-11,17,20-trihydroxy-6-methyl-, commonly known by its CAS number 93963-74-7, is a synthetic steroid compound that exhibits a complex structure characterized by multiple hydroxyl groups and an acetoxy functional group. This compound is derived from the steroid framework, which typically includes a four-ring core structure. The presence of hydroxyl groups at positions 11, 17, and 20 contributes to its potential biological activity, influencing its interaction with steroid hormone receptors. The acetoxy group at position 21 enhances its lipophilicity, potentially affecting its pharmacokinetics and bioavailability. The specific stereochemistry, indicated by the (6α,11β,20R) configuration, plays a crucial role in determining the compound's three-dimensional shape and, consequently, its biological function. Such compounds are often studied for their potential therapeutic applications, particularly in fields related to endocrinology and reproductive health. However, detailed studies are necessary to fully understand their mechanisms of action and therapeutic efficacy.
Formula:C24H34O6
InChI:InChI=1S/C24H34O6/c1-13-9-16-17-6-8-24(29,20(28)12-30-14(2)25)23(17,4)11-19(27)21(16)22(3)7-5-15(26)10-18(13)22/h5,7,10,13,16-17,19-21,27-29H,6,8-9,11-12H2,1-4H3/t13-,16-,17-,19-,20+,21+,22-,23-,24-/m0/s1
InChI key:InChIKey=PISINOWVXAIVLQ-OCKJIAMASA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2([C@@H](COC(C)=O)O)O)[H]
Synonyms:
  • (20R)-11beta,17,20,21-Tetrahydroxy-6alpha-methylpregna-1,4-dien-3-one 21-acetate
  • Pregna-1,4-dien-3-one, 21-(acetyloxy)-11,17,20-trihydroxy-6-methyl-, (6α,11β,20R)-
  • [(2R)-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethyl] acetate
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