17β-Dihydroequilin

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What is 17β-Dihydroequilin?[edit]

17β-Dihydroequilin
  • 7,8-didehydro-17beta-estradiol is a 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 7 and 8 of 17beta-estradiol. It has a role as a metabolite. It is a 17beta-hydroxy steroid and a 3-hydroxy steroid. It derives from an androstane [1].
  • IUPAC Name: (9S,13S,14S,17S)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
  • InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17+,18+/m1/s1
  • InChI Key: NLLMJANWPUQQTA-UBDQQSCGSA-N
  • Canonical SMILES: CC12CCC3C(=CCC4=C3C=CC(=C4)O)C1CCC2O
  • Isomeric SMILES: C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)O)[C@@H]1CC[C@@H]2O
  • Molecular formula: C18H22O2
  • Molecular weight: 270.4 g·mol−1
  • PubChem CID: 11954027
  • Synonyms:
  1. beta-Dihydroequilin
  2. 3563-27-7
  3. UNII-WXG88DST4R
  4. 7-dehydro-estradiol
  5. 17Beta-Dihydroequillin
  6. WXG88DST4R
  7. 7-dehydro-17beta-estradiol
  8. ESTRA-1,3,5(10),7-TETRAENE-3,17BETA-DIOL
  9. CHEMBL121458
  10. 7,8-didehydro-17beta-estradiol
  11. CHEBI:62851
  12. estra-1(10),2,4,7-tetraene-3,17beta-diol
  13. 7-Dehydroestradiol
  14. (9S,13S,14S,17S)-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
  15. (9S,13S,14S,17S)-13-Methyl-9,11,12,13,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
  16. NSC 12170
  17. 17b-Dihydroequilin
  18. EINECS 222-633-3
  19. 17-beta-Dihydroequilin
  20. 17beta-Dihydro Equilin
  21. SCHEMBL666925
  22. 7,8-didehydro-17 -estradiol
  23. DTXSID40871892
  24. ZINC4428374
  25. BDBM50423526
  26. C14485
  27. W-202466
  28. Q27132235
  29. Estra-1,3,5(10),7-tetraene-3,17-diol, (17beta)-

[2]

References[edit]

  1. ↑ 17β-Dihydroequilin, ChEBI [1].
  2. ↑ National Center for Biotechnology Information (2021). PubChem Compound Summary for CID 11954027, 17beta-Dihydroequilin. Retrieved August 5, 2021 from [2].




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