[(2R,4aR,6R,7R,8S,8aR)-6-[(2-nitrophenyl)methoxy]-7-[(7-oxidanyl-2,2-diphenyl-1,3-benzodioxol-5-yl)carbonyloxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 7-oxidanyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2R,4aR,6R,7R,8S,8aR)-6-[(2-nitrophenyl)methoxy]-7-[(7-oxidanyl-2,2-diphenyl-1,3-benzodioxol-5-yl)carbonyloxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 7-oxidanyl-2,2-diphenyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(2R,4aR,6R,7R,8S,8aR)-7-(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-6-[(2-nitrophenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate CAS Name: 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylic acid [(2R,4aR,6R,7R,8S,8aR)-7-[(7-hydroxy-2,2-diphenyl-1,3-benzodioxol-5-yl)-oxomethoxy]-6-[(2-nitrophenyl)methoxy]-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)-7-(7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carbonyl)oxy-6-[(2-nitrophenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 7-hydroxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate Traditional Name: 7-hydroxy-2,2-diphenyl-piperonylic acid [(2R,4aR,6R,7R,8S,8aR)-7-(7-hydroxy-2,2-diphenyl-piperonyloyl)oxy-6-(2-nitrobenzyl)oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C60H45NO16 MolecularWeight: 1035.9964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(C(O2)OCC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC5=C(C(=C4)O)OC(O5)(C6=CC=CC=C6)C7=CC=CC=C7)OC(=O)C8=CC9=C(C(=C8)O)OC(O9)(C2=CC=CC=C2)C2=CC=CC=C2)OC(O1)C1=CC=CC=C1

Isomeric SMILES

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3[N+](=O)[O-])OC(=O)C4=CC5=C(C(=C4)O)OC(O5)(C6=CC=CC=C6)C7=CC=CC=C7)OC(=O)C8=CC9=C(C(=C8)O)OC(O9)(C2=CC=CC=C2)C2=CC=CC=C2)O[C@@H](O1)C1=CC=CC=C1

InChI

InChI=1S/C60H45NO16/c62-45-30-38(32-47-50(45)76-59(74-47,40-21-8-2-9-22-40)41-23-10-3-11-24-41)55(64)71-53-52-49(35-69-57(73-52)36-18-6-1-7-19-36)70-58(68-34-37-20-16-17-29-44(37)61(66)67)54(53)72-56(65)39-31-46(63)51-48(33-39)75-60(77-51,42-25-12-4-13-26-42)43-27-14-5-15-28-43/h1-33,49,52-54,57-58,62-63H,34-35H2/t49-,52-,53+,54-,57-,58-/m1/s1