2-[(2R,4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6R)-6-(3-azidopropoxy)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-[(4-methoxyphenyl)methoxy]-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R,4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6R)-6-(3-azidopropoxy)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-[(4-methoxyphenyl)methoxy]-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione Openeye Name: 2-[(2R,4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6R)-6-(3-azidopropoxy)-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-4-[(4-methoxyphenyl)methoxy]tetrahydropyran-3-yl]oxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindoline-1,3-dione CAS Name: 2-[(2R,4aR,6S,7R,8R,8aR)-6-[[(2R,3S,4R,5R,6R)-6-(3-azidopropoxy)-5-(1,3-dioxo-2-isoindolyl)-4-[(4-methoxyphenyl)methoxy]-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R,4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6R)-6-(3-azidopropoxy)-5-(1,3-dioxoisoindol-2-yl)-4-[(4-methoxyphenyl)methoxy]-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione Traditional Name: 2-[(2R,4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6R)-6-(3-azidopropoxy)-2-(benzoxymethyl)-4-p-anisyloxy-5-phthalimido-tetrahydropyran-3-yl]oxy-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindoline-1,3-quinone Formula: C59H65N5O14Si MolecularWeight: 1096.258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C)(C)OC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OC4C(OC(C(C4OCC5=CC=C(C=C5)OC)N6C(=O)C7=CC=CC=C7C6=O)OCCCN=[N+]=[N-])COCC8=CC=CC=C8)N9C(=O)C1=CC=CC=C1C9=O

Isomeric SMILES

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@@H](O[C@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4OCC5=CC=C(C=C5)OC)N6C(=O)C7=CC=CC=C7C6=O)OCCCN=[N+]=[N-])COCC8=CC=CC=C8)N9C(=O)C1=CC=CC=C1C9=O

InChI

InChI=1S/C59H65N5O14Si/c1-59(2,3)79(5,6)78-51-47(64-54(67)42-24-15-16-25-43(42)55(64)68)58(75-45-35-73-56(76-49(45)51)38-20-11-8-12-21-38)77-48-44(34-70-32-36-18-9-7-10-19-36)74-57(71-31-17-30-61-62-60)46(50(48)72-33-37-26-28-39(69-4)29-27-37)63-52(65)40-22-13-14-23-41(40)53(63)66/h7-16,18-29,44-51,56-58H,17,30-35H2,1-6H3/t44-,45-,46-,47-,48-,49-,50-,51-,56-,57-,58+/m1/s1