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10β,17β-Dihydroxyestra-1,4-dien-3-one

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What is 10β,17β-Dihydroxyestra-1,4-dien-3-one?

10beta,17beta-Dihydroxyestra-1,4-dien-3-one
  • It is an orally active, centrally selective estrogen and a biosynthetic prodrug of estradiol.
  • IUPAC Name: (8S,9S,10S,13S,14S,17S)-10,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
  • InChI: InChI=1S/C18H24O3/c1-17-8-7-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)6-9-18(11,15)21/h6,9-10,13-16,20-21H,2-5,7-8H2,1H3/t13-,14-,15-,16-,17-,18+/m0/s1
  • InChI Key: UIKDFTLKOKNUJP-UGDFAFBOSA-N
  • Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)C=CC34O
  • Isomeric SMILES: C[[email protected]]12CC[[email protected]]3[[email protected]]([[email protected]@H]1CC[[email protected]@H]2O)CCC4=CC(=O)C=C[[email protected]]34O
  • Molecular formula: C18H24O3
  • Molecular weight: 288.4 g·mol−1
  • Synonyms:
  1. UNII-UR9WW8CA3J
  2. UR9WW8CA3J
  3. Estradiol paraquinol
  4. SCHEMBL3888724
  5. p-Estraquinol, 17beta-hydroxy-
  6. 1,4-Estradien-3-one, 10-.epsilon.-17-.beta.-dihydroxy-
  7. DHED, >=98% (HPLC)
  8. ZINC36477393
  9. 10,17-Dihydroxyestra-1,4-dien-3-one
  10. HY-128976
  11. 10,17beta-Dihydroxy-1,4-estradiene-3-one
  12. CS-0102991
  13. (17beta)-10,17-Dihydroxyestra-1,4-dien-3-one
  14. Estra-1,4-dien-3-one, 10,17-dihydroxy-, (17beta)-

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References

  1. National Center for Biotechnology Information (2021). PubChem Compound Summary for CID 11851170, 10beta,17beta-Dihydroxyestra-1,4-dien-3-one. Retrieved July 31, 2021 from https://pubchem.ncbi.nlm.nih.gov/compound/10beta_17beta-Dihydroxyestra-1_4-dien-3-one.
 

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