tetrocarcin N

More details:

• Systematic name

  (1S,3R,5S,9S,11E,13S,16S,17S,18S,20S,21R,22S)-5,27-Dihydroxy-3-(hydroxymethyl)-8,12,18,20,22-pentamethyl-23,25-dioxo-9-({2,3,4,6-tetradeoxy-4-[(methoxycarbonyl)amino]-3-methyl-3-nitro-beta-D-xylo-hexo pyranosyl}oxy)-26-oxapentacyclo[22.2.1.0~1,6~.0~13,22~.0~16,21~]heptacosa-7,11,14,24(27)-tetraen-17-yl 4-O-acetyl-2,6-dideoxy-3-O-[(2S,5R,6S)-5-({2,6-dideoxy-4-O-[(2S,5R,6S)-5-hydroxy-6-methyltetrahyd ro-2H-pyran-2-yl]-beta-L-ribo-hexopyranosyl}oxy)-6-methyltetrahydro-2H-pyran-2-yl]-alpha-L-ribo-hexopyranoside

• 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@@H](/C(=C/C4[C@H](C[C@H](C[C@@]45C(=C(C3=O)C(=O)O5)O)CO)O)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)OC(=O)C)O[C@H]8CC[C@H]([C@@H](O8)C)O[C@@H]9C[C@H]([C@H]([C@@H](O9)C)O[C@H]1CC[C@H]([C@@H](O1)C)O)O)C

• Std. InChi

  InChI=1S/C67H100N2O24/c1-30-14-18-47(88-54-28-65(11,69(79)80)60(38(9)86-54)68-64(78)81-13)31(2)23-43-45(73)24-40(29-70)27-67(43)62(76)55(63(77)93-67)61(75)66(12)42(30)16-15-41-56(66)32(3)22-33(4)57(41)92-53-26-49(59(37(8)85-53)87-39(10)71)90-50-21-19-48(35(6)83-50)89-52-25-46(74)58(36(7)84-52)91-51-20-17-44(72)34(5)82-51/h14-16,23,32-38,40-54,56-60,70,72-74,76H,17-22,24-29H2,1-13H3,(H,68,78)/b30-14+,31-23-/t32-,33-,34-,35-,36-,37-,38+,40+,41-,42-,43?,44+,45-,46+,47-,48+,49+,50-,51-,52+,53-,54-,56+,57-,58-,59-,60-,65-,66+,67-/m0/s1

• Std. InChIKey

  QOJCTCXQZHIADN-QPQJCVERSA-N

• Cite this record

  CSID:60596817, http://www.chemspider.com/Chemical-Structure.60596817.html (accessed 15:26, Jul 1, 2024)