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CAS 1247-71-8

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17-Oxo-1,3,5(10)-triene-3,16α-diol diacetate

Description:
17-Oxo-1,3,5(10)-triene-3,16α-diol diacetate, with the CAS number 1247-71-8, is a synthetic organic compound that belongs to the class of steroid derivatives. This compound features a triene system, indicating the presence of three conjugated double bonds, which contributes to its unique chemical reactivity and stability. The presence of a ketone group at the 17-position and hydroxyl groups at the 3 and 16α positions suggest that it may exhibit biological activity, potentially influencing hormonal pathways. The diacetate moiety indicates that the hydroxyl groups are acetylated, which can enhance lipophilicity and alter the compound's pharmacokinetic properties. Typically, such modifications can improve the compound's solubility and absorption characteristics. The structural features of this compound suggest potential applications in medicinal chemistry, particularly in the development of steroid-based pharmaceuticals. However, specific biological activities, toxicity, and therapeutic uses would require further investigation through empirical studies.
Formula:C22H26O5
InChI:InChI=1S/C22H26O5/c1-12(23)26-15-5-7-16-14(10-15)4-6-18-17(16)8-9-22(3)19(18)11-20(21(22)25)27-13(2)24/h5,7,10,17-20H,4,6,8-9,11H2,1-3H3/t17-,18-,19+,20-,22+/m1/s1
InChI key:InChIKey=QZQSENRWYLQIPC-JPVHLGFFSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OC(C)=O)=CC4)(CC1)[H])[H])(C[C@@H](OC(C)=O)C2=O)[H]
Synonyms:
  • [(8R,9S,13S,14S,16R)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate
  • acetic acid [(8R,9S,13S,14S,16R)-3-acetoxy-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ester
  • (16α)-3,16-Bis(acetyloxy)estra-1,3,5(10)-trien-17-one
  • 3,16alpha-dihydroxyestra-1,3,5(10)-trien-17-one 3,16-diacetate
  • (16alpha)-17-oxoestra-1,3,5(10)-triene-3,16-diyl diacetate
  • 3-O-Benzyl-16-O-tert-butoxycarbonyl 16&alpha
  • Colpogynon
  • [(8R,9S,13S,14S,16R)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] ethanoate
  • 3,16?-dihydroxyestra-1,3,5(10)-trien-17-one 3,16-diacetate
  • Estra-1,3,5(10)-trien-17-one, 3,16-bis(acetyloxy)-, (16α)-
  • See more synonyms
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