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CAS 56086-66-9

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Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17α)-

Description:
Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, commonly referred to by its CAS number 56086-66-9, is a synthetic compound that belongs to the class of steroidal compounds. This substance is characterized by its complex polyene structure, which includes multiple double bonds and hydroxyl groups, contributing to its reactivity and biological activity. The presence of a hydrogen sulfate group indicates that it can act as a sulfate ester, which may influence its solubility and interaction with biological systems. As a monosodium salt, it is likely to be more soluble in aqueous environments compared to its non-salt form, enhancing its potential applications in pharmaceuticals or biochemistry. The compound is of interest in the study of hormonal activity and may have implications in research related to steroid hormones and their derivatives. Its specific stereochemistry, denoted by the (17α) configuration, is crucial for its biological function and interaction with hormone receptors.
Formula:C18H19NaO5S
InChI:InChI=1/C18H19O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h2-5,10,16-17H,6-9H2,1H3,(H,20,21,22);/q-1;+1/t16?,17-,18+;/m1./s1
InChI key:InChIKey=JQXNMPDKNMGRNY-RXQQAGQTSA-N
SMILES:C[C@@]12[C@](C=3C(=C4C(=CC3)C=C(OS(=O)(=O)O)C=C4)CC1)(CC[C@H]2O)[H].[Na]
Synonyms:
  • 17alpha-Dihydroequilenin sodium 3-sulfate
  • 17alpha-Hydroxyestra-1,3,5,7,9-pentaen-3-yl sodium sulfate
  • 17α-Dihydroequilenin sodium sulfate
  • Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17alpha)-
  • Sodium (14Xi,17Alpha)-3-(Sulfooxy)Estra-1,3,5(10),6,8-Pentaen-17-Olate
  • Estra-1,3,5,7,9-pentaene-3,17-diol, 3-(hydrogen sulfate), monosodium salt, (17α)-
  • Sodium (14ξ,17α)-3-(sulfooxy)estra-1,3,5(10),6,8-pentaen-17-olate
  • Equilenin 17a-Dihydro 3-Sulfate Sodium Salt
  • 17α-Dihydro Equilenin 3-Sulfate
  • Equilenin Impurity 5
  • See more synonyms
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