[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5,6-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6R)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5,6-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4S,5S,6R)-4,5,6-tribenzoyloxy-3-[(2S,3R,4S,5R,6R)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4S,5S,6R)-4,5,6-tribenzoyloxy-3-[[(2S,3R,4S,5R,6R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6R)-4,5,6-tribenzoyloxy-3-[(2S,3R,4S,5R,6R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-4,5,6-tribenzoyloxy-3-[(2S,3R,4S,5R,6R)-6-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C61H56O17 MolecularWeight: 1061.08714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(C(O4)OC5C(OC(C(C5OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)COC(=O)C9=CC=CC=C9)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](O[C@@H]([C@H]([C@H]5OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)COC(=O)C9=CC=CC=C9)O)O)O

InChI

InChI=1S/C61H56O17/c1-69-45-32-28-43(29-33-45)61(42-26-16-7-17-27-42,44-30-34-46(70-2)35-31-44)72-37-47-49(62)50(63)51(64)59(73-47)77-52-48(36-71-55(65)38-18-8-3-9-19-38)74-60(78-58(68)41-24-14-6-15-25-41)54(76-57(67)40-22-12-5-13-23-40)53(52)75-56(66)39-20-10-4-11-21-39/h3-35,47-54,59-60,62-64H,36-37H2,1-2H3/t47-,48-,49+,50+,51-,52-,53+,54+,59+,60-/m1/s1