71208-05-4 , 2-Acetamido-1,6-di-O-benzyl-3-O-(2,3,4-tri-O-benzyl-b-L-fucopyranosyl)-2-deoxy-4-O-(b-D-galactopyranosyl)-a-D-glucopyranoside ;
Benzyl 2-acetamido-6-O-benzyl-3-(2,3,4-tri-O-benzyl-b-L-fucopyranosyl)-4-(b-D-galactopyranosyl)-2-deoxy-a-D-glucopyranoside
C55H65NO15 / 980.13
MFCD09750876
Benzyl 2-acetamido-6-O-benzyl-3-(2,3,4-tri-O-benzyl-b-L-fucopyranosyl)-4-(b-D-galactopyranosyl)-2-deoxy-a-D-glucopyranoside
CAS Number | 71208-05-4 |
Product Name | 2-Acetamido-1,6-DI-O-benzyl-3-O-(2,3,4-tri-O-benzyl-B-L-fucopyranosyl)-2-deoxy-4-O-(B-D-galactopyranosyl)-A-D-glucopyranoside |
IUPAC Name | N-[(2S,3R,4R,5S,6R)-4-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide |
Molecular Formula | C55H65NO15 |
Molecular Weight | 980.1 g/mol |
InChI | InChI=1S/C55H65NO15/c1-35-48(63-30-38-20-10-4-11-21-38)51(64-31-39-22-12-5-13-23-39)52(65-32-40-24-14-6-15-25-40)55(67-35)71-50-44(56-36(2)58)53(66-33-41-26-16-7-17-27-41)69-43(34-62-29-37-18-8-3-9-19-37)49(50)70-54-47(61)46(60)45(59)42(28-57)68-54/h3-27,35,42-55,57,59-61H,28-34H2,1-2H3,(H,56,58)/t35-,42+,43+,44+,45-,46-,47+,48+,49+,50+,51+,52-,53-,54-,55+/m0/s1 |
InChI Key | AHSVIBHOZGBZBV-QUJQDILUSA-N |
SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)COCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8 |
Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)COCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8 |
Isomeric SMILES | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)COCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8 |
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