155835-96-4 , Benzyl 3-O-(2,3,4,6-tetra-O-benzyl-a-D-galactopyranosyl)-4,6-O-benzylidene-D-galactopyranose,
Cas:155835-96-4
C54H56O11 / 881.04
MFCD09750874
CAS Number | 155835-96-4 |
Product Name | Benzyl 3-O-(2,3,4,6-tetra-O-benzyl-a-D-galactopyranosyl)-4,6-O-benzylidene-D-galactopyranose |
IUPAC Name | (4aR,7R,8R,8aS)-2-phenyl-6-phenylmethoxy-8-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol |
Molecular Formula | C54H56O11 |
Molecular Weight | 881.04 g/mol |
InChI | InChI=1S/C54H56O11/c55-46-49(48-45(37-61-52(64-48)43-29-17-6-18-30-43)62-53(46)60-35-42-27-15-5-16-28-42)65-54-51(59-34-41-25-13-4-14-26-41)50(58-33-40-23-11-3-12-24-40)47(57-32-39-21-9-2-10-22-39)44(63-54)36-56-31-38-19-7-1-8-20-38/h1-30,44-55H,31-37H2/t44-,45-,46-,47+,48+,49-,50+,51-,52?,53?,54-/m1/s1 |
InChI Key | DGFJBXRPHOAYEU-NRJZUKSESA-N |
SMILES | C1C2C(C(C(C(O2)OCC3=CC=CC=C3)O)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OC(O1)C9=CC=CC=C9 |
Canonical SMILES | C1C2C(C(C(C(O2)OCC3=CC=CC=C3)O)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OC(O1)C9=CC=CC=C9 |
Isomeric SMILES | C1[C@@H]2[C@@H]([C@@H]([C@H](C(O2)OCC3=CC=CC=C3)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OC(O1)C9=CC=CC=C9 |
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