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CAS 106033-96-9

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(1S)-1-[(Ethoxycarbonyl)oxy]ethyl (6α,11β,16α,17α)-16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate

Description:
The chemical substance with the name "(1S)-1-[(Ethoxycarbonyl)oxy]ethyl (6α,11β,16α,17α)-16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate" and CAS number "106033-96-9" is a synthetic steroid derivative. It features a complex structure characterized by multiple functional groups, including ethoxycarbonyl and butylidenebis(oxy) moieties, which contribute to its biological activity. The presence of difluoro and hydroxy groups indicates potential modifications that can enhance its pharmacological properties. This compound is likely to exhibit specific interactions with steroid receptors, influencing various physiological processes. Its structural configuration suggests it may have applications in medicinal chemistry, particularly in the development of therapeutic agents targeting hormonal pathways. The stereochemistry, denoted by the (1S) and (1R) designations, is crucial for its biological activity, as the spatial arrangement of atoms can significantly affect the compound's interaction with biological targets. Overall, this substance represents a class of compounds with potential utility in pharmacology and biochemistry.
Formula:C29H38F2O9
InChI:InChI=1S/C29H38F2O9/c1-6-8-23-39-22-13-17-18-12-20(30)19-11-16(32)9-10-26(19,4)28(18,31)21(33)14-27(17,5)29(22,40-23)24(34)37-15(3)38-25(35)36-7-2/h9-11,15,17-18,20-23,33H,6-8,12-14H2,1-5H3/t15-,17-,18-,20-,21-,22+,23+,26-,27-,28-,29-/m0/s1
InChI key:InChIKey=GCELVROFGZYBHY-JUVXQCODSA-N
SMILES:C(O[C@@H](OC(OCC)=O)C)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(O[C@@H](CCC)O2)[H])([C@]4([C@](F)([C@@H](O)C3)[C@]5(C)C([C@@H](F)C4)=CC(=O)C=C5)[H])[H]
Synonyms:
  • (1S)-1-[(Ethoxycarbonyl)oxy]ethyl (6α,11β,16α,17α)-16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylate
  • (1S)-1-[(ethoxycarbonyl)oxy]ethyl (4aS,5S,6aS,6bS,8R,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carboxylate
  • 6alpha,9-Difluoro-11beta,16alpha,17-trihydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylic acid, ester with ethyl (S)-1-hydroxyethyl carbonate, cyclic (R)-16,17-acetal with butyraldehyde
  • Androsta-1,4-diene-17-carboxylic acid, 16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxo-, (1S)-1-[(ethoxycarbonyl)oxy]ethyl ester, (6α,11β,16α,17α)-
  • Androsta-1,4-diene-17-carboxylic acid, 16,17-[butylidenebis(oxy)]-6,9-difluoro-11-hydroxy-3-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, [6α,11β,16α(R),17α,17(S)]-
  • Itrocinonide [INN]
  • Unii-2Zw8Nep6Pq
  • Itrocinonide
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