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CAS 200625-47-4

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(2E,4S,4aR,12aS)-4-[[(2S,5S,6R)-5-[[2,6-Dideoxy-4-O-(2-hydroxy-3,6-dimethylbenzoyl)-3-C-methyl-α-L-xylo-hexopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-4a,12a-dihydro-4a,11,12a-trihydroxy-2-(1-hydroxyethylidene)-8-methoxy-6-methyl-1,3,7,10,12(2H,4H,5H)-naphthacenepentone

Description:
The chemical substance with the name "(2E,4S,4aR,12aS)-4-[[[2S,5S,6R)-5-[[2,6-Dideoxy-4-O-(2-hydroxy-3,6-dimethylbenzoyl)-3-C-methyl-α-L-xylo-hexopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-4a,12a-dihydro-4a,11,12a-trihydroxy-2-(1-hydroxyethylidene)-8-methoxy-6-methyl-1,3,7,10,12(2H,4H,5H)-naphthacenepentone" and CAS number "200625-47-4" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a naphthacene backbone, which contributes to its potential biological activity, possibly as a natural product or a synthetic derivative. The presence of hydroxyl groups indicates potential for hydrogen bonding and solubility in polar solvents, while the methoxy and dideoxy sugar moieties suggest interactions with biological systems, such as enzyme binding or cellular uptake. The stereochemical descriptors (E, S, R) indicate specific spatial arrangements of atoms, which are crucial for the compound's reactivity and biological function. Overall, this compound's structural complexity and functional diversity may confer unique properties, making it of interest in medicinal chemistry and pharmacology.
Formula:C44H48O18
InChI:InChI=1S/C44H48O18/c1-16-9-10-17(2)33(47)28(16)41(53)62-39-21(6)59-27(15-42(39,7)54)60-24-11-12-26(58-20(24)5)61-40-36(50)30(19(4)45)37(51)44(56)38(52)31-22(14-43(40,44)55)18(3)29-32(35(31)49)23(46)13-25(57-8)34(29)48/h9-10,13,20-21,24,26-27,39-40,45,47,49,54-56H,11-12,14-15H2,1-8H3/b30-19+/t20-,21+,24+,26+,27+,39-,40-,42-,43-,44-/m1/s1
InChI key:InChIKey=OWRCRVABZYJUES-FLJLGRLJSA-N
SMILES:O[C@]12[C@](O)(C(=O)C=3C(C1)=C(C)C4=C(C3O)C(=O)C=C(OC)C4=O)C(=O)/C(=C(\C)/O)/C(=O)[C@H]2O[C@@H]5O[C@H](C)[C@@H](O[C@H]6C[C@@](C)(O)[C@H](OC(=O)C7=C(O)C(C)=CC=C7C)[C@H](C)O6)CC5
Synonyms:
  • Polyketomycin
  • 1,3,7,10,12(2H,4H,5H)-Naphthacenepentone, 4-[[(2S,5S,6R)-5-[[2,6-dideoxy-4-O-(2-hydroxy-3,6-dimethylbenzoyl)-3-C-methyl-α-L-xylo-hexopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-4a,12a-dihydro-4a,11,12a-trihydroxy-2-(1-hydroxyethylidene)-8-methoxy-6-methyl-, (2E,4S,4aR,12aS)-
  • (2E,4S,4aR,12aS)-4-[[(2S,5S,6R)-5-[[2,6-Dideoxy-4-O-(2-hydroxy-3,6-dimethylbenzoyl)-3-C-methyl-α-L-xylo-hexopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-4a,12a-dihydro-4a,11,12a-trihydroxy-2-(1-hydroxyethylidene)-8-methoxy-6-methyl-1,3,7,10,12(2H,4H,5H)-naphthacenepentone
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