[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R,6R)-6-[2-(2-azidoethoxy)ethoxy]-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ethanoate

Systemtic Name: [(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R,6R)-6-[2-(2-azidoethoxy)ethoxy]-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ethanoate Openeye Name: [(2S,4aR,6S,7R,8S,8aS)-7-acetoxy-6-[(2R,3S,4R,5R,6R)-6-[2-(2-azidoethoxy)ethoxy]-2-(benzyloxymethyl)-5-(1,3-dioxoisoindolin-2-yl)-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate CAS Name: acetic acid [(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[[(2R,3S,4R,5R,6R)-6-[2-(2-azidoethoxy)ethoxy]-5-(1,3-dioxo-2-isoindolyl)-4-[[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R,6R)-6-[2-(2-azidoethoxy)ethoxy]-5-(1,3-dioxoisoindol-2-yl)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate Traditional Name: acetic acid [(2S,4aR,6S,7R,8S,8aS)-7-acetoxy-6-[(2R,3S,4R,5R,6R)-6-[2-(2-azidoethoxy)ethoxy]-2-(benzoxymethyl)-5-phthalimido-4-[(2S,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C69H74N4O19 MolecularWeight: 1263.34126

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OC(=O)C)OC(=O)C)COCC6=CC=CC=C6)OCCOCCN=[N+]=[N-])N7C(=O)C8=CC=CC=C8C7=O)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@@H]4[C@H](O3)CO[C@@H](O4)C5=CC=CC=C5)OC(=O)C)OC(=O)C)COCC6=CC=CC=C6)OCCOCCN=[N+]=[N-])N7C(=O)C8=CC=CC=C8C7=O)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C69H74N4O19/c1-43-56(81-38-47-23-11-5-12-24-47)60(82-39-48-25-13-6-14-26-48)62(83-40-49-27-15-7-16-28-49)68(85-43)92-59-55(73-64(76)51-31-19-20-32-52(51)65(73)77)67(80-36-35-78-34-33-71-72-70)88-53(41-79-37-46-21-9-4-10-22-46)57(59)91-69-63(87-45(3)75)61(86-44(2)74)58-54(89-69)42-84-66(90-58)50-29-17-8-18-30-50/h4-32,43,53-63,66-69H,33-42H2,1-3H3/t43-,53+,54+,55+,56+,57+,58-,59+,60+,61-,62-,63+,66-,67+,68-,69-/m0/s1