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CAS 16234-96-1

:

Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate

Description:
Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate, with CAS number 16234-96-1, is a complex organic compound characterized by its multi-functional groups and stereochemistry. This substance features a naphthalene-derived structure, which contributes to its aromatic properties, and includes multiple hydroxyl (-OH) groups that enhance its solubility in polar solvents and may impart biological activity. The presence of dioxo groups indicates potential reactivity, particularly in redox reactions. The stereochemical configuration (1R,2R,4S) suggests specific spatial arrangements that can influence the compound's interactions with biological systems, potentially affecting its pharmacological properties. Additionally, the ethyl group and the methyl ester functionality may influence its lipophilicity and overall stability. Such characteristics make this compound of interest in medicinal chemistry and natural product synthesis, where its unique structure could lead to novel therapeutic applications. However, detailed studies on its biological activity and safety profile would be necessary to fully understand its potential uses.
Formula:C22H20O8
InChI:InChI=1S/C22H20O8/c1-3-22(29)8-13(24)15-10(17(22)21(28)30-2)7-11-16(20(15)27)19(26)14-9(18(11)25)5-4-6-12(14)23/h4-7,13,17,23-24,27,29H,3,8H2,1-2H3/t13-,17-,22+/m0/s1
InChI key:InChIKey=RACGRCLGVYXIAO-YOKWENHESA-N
SMILES:C(OC)(=O)[C@@H]1C2=C(C(O)=C3C(=C2)C(=O)C=4C(C3=O)=C(O)C=CC4)[C@@H](O)C[C@@]1(CC)O
Synonyms:
  • Antibiotic MA 144D1
  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]-
  • Aklavinone
  • 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
  • Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,4,5,7-tetrahydroxy-6,11-dioxo-1-naphthacenecarboxylate
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