6QFJ0908R2

More details:

• Systematic name

  N-[(2S,3R,4E)-1-{[(2R,3R,4R,5S,6R)-5-({(2S,4S,4a'R,5R,5'S,6R,7'R,8'S,8a'S)-5-Acetamido-8'-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymet hyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-7'-(hydroxymethyl)-3'-oxo-6-[(1R,2R)-1,2,3-trihydroxypropyl]octahydro-5'H-spiro[pyran-2,2'-pyrano[3,4-b][1,4]dioxin]-5'-yl}oxy) -3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-3-hydroxy-4-octadecen-2-yl]octadecanamide (non-preferred name)

• SMILES

  CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]3[C@H]([C@H]([C@H](O2)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)NC(=O)C)O[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O3)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

• Std. InChi

  InChI=1S/C73H129N3O30/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-52(87)76-44(45(84)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2)41-96-69-61(94)59(92)62(50(39-80)99-69)101-71-67-66(106-73(72(95)104-67)35-46(85)53(74-42(3)82)65(105-73)55(88)47(86)36-77)63(51(40-81)100-71)102-68-54(75-43(4)83)64(57(90)49(38-79)97-68)103-70-60(93)58(91)56(89)48(37-78)98-70/h31,33,44-51,53-71,77-81,84-86,88-94H,5-30,32,34-41H2,1-4H3,(H,74,82)(H,75,83)(H,76,87)/b33-31+/t44-,45+,46-,47+,48+,49+,50+,51+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62+,63-,64+,65+,66-,67+,68-,69+,70-,71-,73-/m0/s1

• Std. InChIKey

  WVHBJHLTCHODOA-MYYVOHNDSA-N

• Cite this record

  CSID:34986533, http://www.chemspider.com/Chemical-Structure.34986533.html (accessed 22:32, Jul 5, 2024)