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CAS 289480-64-4

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Acetic acid, 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-, sodium salt (1:1)

Description:
The chemical substance known as Acetic acid, 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-, sodium salt (1:1) is a complex organic compound characterized by its unique structural features. It contains a sodium salt form of acetic acid, which suggests it is likely soluble in water and may exhibit properties typical of carboxylate salts. The presence of a hexahydro-benzindene structure indicates potential biological activity, possibly related to its interactions with biological membranes or enzymes. The hydroxyl groups in the structure may contribute to hydrogen bonding capabilities, enhancing its solubility and reactivity. Additionally, the compound's stereochemistry, indicated by the specific R and S configurations, may influence its pharmacological properties and interactions in biological systems. Overall, this compound may have applications in pharmaceuticals or biochemistry, although specific uses would depend on further research into its biological activity and safety profile.
Formula:C23H34O5·Na
InChI:InChI=1S/C23H34O5.Na/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);/t16-,17-,18+,19-,21+;/m0./s1
InChI key:InChIKey=RCKWZOAISRYANP-ZSESPEEFSA-N
SMILES:C(C[C@H](CCCCC)O)[C@@H]1[C@@]2([C@@](CC=3C(C2)=CC=CC3OCC(O)=O)(C[C@H]1O)[H])[H].[Na]
Synonyms:
  • ({(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid
  • Acetic acid, (((1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-((3S)-3-hydroxyoctyl)-1H-benz(f)inden-5-yl)oxy)-, monosodium salt
  • Acetic acid, 2-[[(1R,2R,3aS,9aS)-2,3,3a,4,9,9a-hexahydro-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]inden-5-yl]oxy]-, sodium salt (1:1)
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  • sodium ({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetate
  • sodium ({(1S,2S,3aR,9aR)-2-hydroxy-1-[(3R)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetate
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Found 7 products.