[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylcarbonyloxy)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,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylcarbonyloxy)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,5S,6R)-3,4,5-tribenzoyloxy-6-(hydroxymethyl)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,5S,6R)-3,4,5-tribenzoyloxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5S,6R)-4,5,6-tribenzoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4S,5S,6R)-4,5,6-tribenzoyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-tribenzoyloxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C61H50O18 MolecularWeight: 1071.0389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

InChI

InChI=1S/C61H50O18/c62-36-45-47(73-54(64)39-24-10-2-11-25-39)49(74-55(65)40-26-12-3-13-27-40)51(76-57(67)42-30-16-5-17-31-42)60(71-45)78-48-46(37-70-53(63)38-22-8-1-9-23-38)72-61(79-59(69)44-34-20-7-21-35-44)52(77-58(68)43-32-18-6-19-33-43)50(48)75-56(66)41-28-14-4-15-29-41/h1-35,45-52,60-62H,36-37H2/t45-,46-,47+,48-,49+,50+,51-,52+,60+,61-/m1/s1