CAS: 94458-59-0 - (2S,3R,4E)-2-Amino-3-hydroxy-4-octadecenyl O-(N-acetyl-α-neuraminosyl)-(2→3)-O-[O-β-<span class="text-smallcaps">D</smallcap>-galactopyranosyl-(1→3)-2-(acetylamino)-2-deoxy-β-<smallcap>D</smallcap>-galactopyranosyl-(1→4)]-O-β-<smallcap>D</smallcap>-galactopyranosyl-(1→4)-β-<smallcap>D</span>-glucopyranoside

Formula:C₅₅H₉₇N₃O₃₀

InChI:InChI=1S/C55H97N3O30/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(66)27(56)24-79-51-43(75)41(73)45(33(22-62)82-51)84-53-44(76)49(88-55(54(77)78)18-29(67)35(57-25(2)64)48(87-55)37(69)30(68)19-59)46(34(23-63)83-53)85-50-36(58-26(3)65)47(39(71)32(21-61)80-50)86-52-42(74)40(72)38(70)31(20-60)81-52/h16-17,27-53,59-63,66-76H,4-15,18-24,56H2,1-3H3,(H,57,64)(H,58,65)(H,77,78)/b17-16+/t27-,28+,29-,30+,31+,32+,33+,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,50-,51+,52-,53-,55-/m0/s1

InChI key:InChIKey=ARKDJZHBBZECNE-LSYRYXEQSA-N

SMILES:O=C(O)C1(OC2C(O)C(OC(CO)C2OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3NC(=O)C)OC5C(O)C(O)C(OCC(N)C(O)C=CCCCCCCCCCCCCC)OC5CO)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1