[(2R,4aR,6R,7R,8S,8aR)-6-[[(2R,4aR,6R,7R,8S,8aR)-2-phenyl-7,8-bis(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate

Systemtic Name: [(2R,4aR,6R,7R,8S,8aR)-6-[[(2R,4aR,6R,7R,8S,8aR)-2-phenyl-7,8-bis(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-7-(phenylcarbonyloxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate Openeye Name: [(2R,4aR,6R,7R,8S,8aR)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate CAS Name: benzoic acid [(2R,4aR,6R,7R,8S,8aR)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(2R,4aR,6R,7R,8S,8aR)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate Traditional Name: benzoic acid [(2R,4aR,6R,7R,8S,8aR)-6-[[(2R,4aR,6R,7R,8S,8aR)-7,8-dibenzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-benzoyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C54H46O15 MolecularWeight: 934.93404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O2)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(O1)C1=CC=CC=C1

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)O[C@@H](O1)C1=CC=CC=C1

InChI

InChI=1S/C54H46O15/c55-47(33-19-7-1-8-20-33)63-43-41-39(31-59-51(67-41)37-27-15-5-16-28-37)61-53(45(43)65-49(57)35-23-11-3-12-24-35)69-54-46(66-50(58)36-25-13-4-14-26-36)44(64-48(56)34-21-9-2-10-22-34)42-40(62-54)32-60-52(68-42)38-29-17-6-18-30-38/h1-30,39-46,51-54H,31-32H2/t39-,40-,41-,42-,43+,44+,45-,46-,51-,52-,53-,54-/m1/s1