2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-oxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

Systemtic Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-oxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione Openeye Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-6-allyloxy-4-benzyloxy-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-3-yl]oxy-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindoline-1,3-dione CAS Name: 2-[(4aR,6S,7R,8S,8aS)-6-[[(2R,3S,4S,5R,6R)-5-(1,3-dioxo-2-isoindolyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxy-3-oxanyl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione IUPAC Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione Traditional Name: 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-6-allyloxy-4-benzoxy-2-(benzoxymethyl)-5-phthalimido-tetrahydropyran-3-yl]oxy-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindoline-1,3-quinone Formula: C59H54N2O13 MolecularWeight: 999.06566

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

C=CCO[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@@H]([C@@H]([C@H]4[C@H](O3)COC(O4)C5=CC=CC=C5)OCC6=CC=CC=C6)N7C(=O)C8=CC=CC=C8C7=O)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C59H54N2O13/c1-2-31-67-58-47(60-53(62)41-27-15-16-28-42(41)54(60)63)51(68-33-38-21-9-4-10-22-38)49(45(71-58)35-66-32-37-19-7-3-8-20-37)74-59-48(61-55(64)43-29-17-18-30-44(43)56(61)65)52(69-34-39-23-11-5-12-24-39)50-46(72-59)36-70-57(73-50)40-25-13-6-14-26-40/h2-30,45-52,57-59H,1,31-36H2/t45-,46-,47-,48-,49-,50-,51+,52+,57?,58-,59+/m1/s1