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CAS 117016-15-6

:

Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate

Description:
Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate, with CAS number 117016-15-6, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl (-OH), amino (-NH2), and ester groups. This compound features a naphthacene backbone, which contributes to its potential biological activity. The presence of the sugar moiety indicates that it may exhibit properties relevant to glycosylation, influencing its solubility and interaction with biological systems. The stereochemistry, denoted by the specific configuration at various chiral centers, suggests that the compound may have distinct pharmacological properties, potentially affecting its binding affinity to biological targets. Overall, this compound's unique structural features may render it of interest in medicinal chemistry and pharmacology, particularly in the development of therapeutic agents.
Formula:C28H31NO12
InChI:InChI=1S/C28H31NO12/c1-4-28(38)8-13(41-14-7-10(29)22(32)9(2)40-14)17-18(21(28)27(37)39-3)26(36)20-19(25(17)35)23(33)15-11(30)5-6-12(31)16(15)24(20)34/h5-6,9-10,13-14,21-22,30-32,35-36,38H,4,7-8,29H2,1-3H3/t9-,10-,13-,14-,21-,22+,28+/m0/s1
InChI key:InChIKey=QZUSXQWRSHCKJZ-BCMLCFFESA-N
SMILES:C(OC)(=O)[C@@H]1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@]1(CC)O)C(O)=C4C(=C2O)C(=O)C=5C(C4=O)=C(O)C=CC5O
Synonyms:
  • Methyl (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-1-naphthacenecarboxylate
  • 1-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-, methyl ester, [1R-(1α,2β,4β)]-
  • 1-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10,12-pentahydroxy-6,11-dioxo-, methyl ester, (1R,2R,4S)-
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