ethyl 9-[[(4aR,6R,7R,8R,8aS)-7-acetamido-2-phenyl-8-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]nonanoate

Systemtic Name: ethyl 9-[[(4aR,6R,7R,8R,8aS)-7-acetamido-2-phenyl-8-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]nonanoate Openeye Name: ethyl 9-[[(4aR,6R,7R,8R,8aS)-7-acetamido-2-phenyl-8-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]nonanoate CAS Name: 9-[[(4aR,6R,7R,8R,8aS)-7-acetamido-2-phenyl-8-[[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]nonanoic acid ethyl ester IUPAC Name: ethyl 9-[[(4aR,6R,7R,8R,8aS)-7-acetamido-2-phenyl-8-[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]nonanoate Traditional Name: 9-[[(4aR,6R,7R,8R,8aS)-7-acetamido-2-phenyl-8-[(2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]pelargonic acid ethyl ester Formula: C40H57NO17 MolecularWeight: 823.87708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCOC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COC(O2)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C

InChI

InChI=1S/C40H57NO17/c1-7-48-31(47)19-15-10-8-9-11-16-20-49-39-32(41-23(2)42)35(33-30(55-39)22-51-38(57-33)28-17-13-12-14-18-28)58-40-37(54-27(6)46)36(53-26(5)45)34(52-25(4)44)29(56-40)21-50-24(3)43/h12-14,17-18,29-30,32-40H,7-11,15-16,19-22H2,1-6H3,(H,41,42)/t29-,30-,32-,33-,34+,35-,36+,37-,38?,39-,40+/m1/s1