Methyl [(2R,3R,4S,6R)-6-{[(1S,3R,6S,7E,9S,13S,16S,17S,18S,20S,21R,22S)-11-hydroperoxy-27-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5S,6R)-6-hydroxy-5-{[(2S,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyl tetrahydro-2H-pyran-2-yl]oxy}-4-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3,8,18,20,22-pentamethyl-12-methylene-23,25-dioxo-26-oxapentacyclo[22.2.1.0 ^1,6.0^13,22.0^16,21]heptacosa-4,7,14,24(27)-tetraen-9-yl]oxy}-2,4-dimethyl-4-nitrotetrahydro-2H-pyran-3-yl]carbamate (non-preferred name)

More details:

• Systematic name

  Methyl [(2R,3R,4S,6R)-6-{[(1S,3R,6S,7E,9S,13S,16S,17S,18S,20S,21R,22S)-11-hydroperoxy-27-hydroxy-17-{[(2R,4R,5S,6S)-5-hydroxy-4-{[(2S,4R,5S,6R)-6-hydroxy-5-{[(2S,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyl tetrahydro-2H-pyran-2-yl]oxy}-4-methyltetrahydro-2H-pyran-2-yl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-(hydroxymethyl)-3,8,18,20,22-pentamethyl-12-methylene-23,25-dioxo-26-oxapentacyclo[22.2.1.0~ 1,6~.0~13,22~.0~16,21~]heptacosa-4,7,14,24(27)-tetraen-9-yl]oxy}-2,4-dimethyl-4-nitrotetrahydro-2H-pyran-3-yl]carbamate (non-preferred name)

• SMILES

  C[C@H]1C[C@@H]([C@@H]([C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C(=C)C(C[C@@H](/C(=C/[C@@H]4C=C([C@@H](C[C@@]45C(=C(C3=O)C(=O)O5)O)C)CO)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])OO)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)O[C@@H]8C[C@H]([C@@H]([C@@H](O8)O)O[C@H]9C[C@H]([C@H]([C@@H](O9)C)OC)O)C)C

• Std. InChi

  InChI=1S/C61H90N2O23/c1-26-17-36-19-35(25-64)30(5)23-61(36)55(68)47(56(69)85-61)54(67)60(11)38(31(6)41(86-74)21-40(26)80-46-24-59(10,63(72)73)53(34(9)79-46)62-58(71)76-13)15-14-37-48(60)27(2)16-28(3)50(37)82-45-22-42(49(66)32(7)77-45)81-43-18-29(4)51(57(70)84-43)83-44-20-39(65)52(75-12)33(8)78-44/h14-15,17,19,27-30,32-34,36-46,48-53,57,64-66,68,70,74H,6,16,18,20-25H2,1-5,7-13H3,(H,62,71)/b26-17+/t27-,28-,29+,30+,32-,33-,34+,36+,37-,38-,39+,40-,41?,42+,43-,44-,45-,46-,48+,49-,50-,51-,52-,53-,57+,59-,60+,61-/m0/s1

• Std. InChIKey

  VXQKHNPNROTVFQ-KPAFAOJKSA-N

• Cite this record

  CSID:40256828, http://www.chemspider.com/Chemical-Structure.40256828.html (accessed 15:57, Jun 1, 2024)