Methyl (1R,10S,12S,13R,21R,22S,23S,24S)-24-{[2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-methyl-3-nitro-β-L-lyxo-hexopyranosyl-(1->4)-2,6-dideoxy-α-D-ribo-hexopyranosyl]oxy}- 10-{[2,6-dideoxy-α-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-methyl-3-nitro-β-L-xylo-hexopyranosyl-(1->4)-2,6-dideoxy-α-D-ribo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-α -L-lyxo-hexopyranosyl]oxy}-23-(dimethylamino)-4,8,12,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0^2,19.0^5,18.0^7,16.0^9,14]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxy late

More details:

• Systematic name

  Methyl (1R,10S,12S,13R,21R,22S,23S,24S)-24-{[2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-methyl-3-nitro-beta-L-lyxo-hexopyranosyl-(1->4)-2,6-dideoxy-alpha-D-ribo-hexopyranosyl]oxy}- 10-{[2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-methyl-3-nitro-beta-L-xylo-hexopyranosyl-(1->4)-2,6-dideoxy-alpha-D-ribo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylamino)-alpha -L-lyxo-hexopyranosyl]oxy}-23-(dimethylamino)-4,8,12,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-2,4,7(16),8,14,18-hexaene-13-carboxy late

• SMILES

  C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@@H](C[C@@]2(C)[N+](=O)[O-])O[C@@H]3[C@H](O[C@@H](C[C@@H]3O)O[C@@H]4[C@@H](O[C@H](C[C@@H]4N(C)C)O[C@H]5C[C@]([C@@H](c6c5c(c7c(c6)C(=O)c8c(c(cc9c8O[C@H]1[C@H]([C@@H]([C@@H]([C@@]9(O1)C)O[C@@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1C[C@]([C@@H]([C@@H](O1)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)O)(C)[N+](=O)[O-])O)N(C)C)O)O)C7=O)O)C(=O)OC)(C)O)C)C)C)O)O

• Std. InChi

  InChI=1S/C75H108N4O34/c1-27-57(85)39(81)20-46(98-27)109-67-32(6)103-49(25-72(67,8)78(93)94)107-64-30(4)101-45(22-41(64)83)106-63-29(3)100-44(19-37(63)76(12)13)105-43-24-74(10,92)55(70(91)97-16)34-17-35-52(60(88)51(34)43)61(89)53-38(80)18-36-66(54(53)59(35)87)112-71-62(90)56(77(14)15)69(75(36,11)113-71)111-48-23-42(84)65(31(5)102-48)108-50-26-73(9,79(95)96)68(33(7)104-50)110-47-21-40(82)58(86)28(2)99-47/h17-18,27-33,37,39-50,55-58,62-65,67-69,71,80-86,88,90,92H,19-26H2,1-16H3/t27-,28-,29-,30+,31+,32-,33-,37-,39-,40-,41-,42-,43-,44-,45+,46-,47-,48+,49+,50+,55-,56-,57+,58+,62-,63+,64+,65+,67+,68+,69-,71+,72+,73-,74-,75+/m0/s1

• Std. InChIKey

  HPKUSNRYJXTEEY-UYCPWEGOSA-N

• Cite this record

  CSID:62765037, http://www.chemspider.com/Chemical-Structure.62765037.html (accessed 12:46, Jun 17, 2024)