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CAS 98983-21-2

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2-[1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl (2S,4S)-pentanoate

Description:
The chemical substance known as "2-[1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl (2S,4S)-pentanoate" with CAS number 98983-21-2 is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as hydroxyl (-OH), methoxy (-OCH3), and dioxo groups. This compound features a naphthacene backbone, which is indicative of its potential biological activity, possibly related to its interactions with various biological targets. The presence of sugar moieties suggests that it may exhibit properties typical of glycosides, potentially influencing its solubility and reactivity. Additionally, the stereochemistry indicated by the (2S,4S) configuration implies specific spatial arrangements that could affect its pharmacological properties. Overall, this compound's unique structure may contribute to its potential applications in medicinal chemistry or as a lead compound for drug development, although specific biological activities would require further investigation.
Formula:C39H43NO12
InChI:InChI=1S/C39H43NO12/c1-4-5-14-28(42)50-19-27(41)39(48)16-23-31(38(47)33-32(36(23)45)35(44)22-12-9-13-25(49-3)30(22)37(33)46)26(17-39)52-29-15-24(34(43)20(2)51-29)40-18-21-10-7-6-8-11-21/h6-13,20,24,26,29,34,40,43,45,47-48H,4-5,14-19H2,1-3H3/t20-,24-,26-,29-,34+,39-/m0/s1
InChI key:InChIKey=IUKSGXMOHXEUJY-YWVRLZQXSA-N
SMILES:OC=1C2=C([C@@H](O[C@H]3C[C@H](NCC4=CC=CC=C4)[C@H](O)[C@H](C)O3)C[C@@](C(COC(CCCC)=O)=O)(O)C2)C(O)=C5C1C(=O)C=6C(C5=O)=C(OC)C=CC6
Synonyms:
  • Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-
  • Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S,4S)-
  • 2-[1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl (2S,4S)-pentanoate
  • AD 198
  • N-Benzyladriamycin-14-valerate
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