N-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aS)-7-oxidanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]ethanamide

Systemtic Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aS)-7-oxidanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]ethanamide Openeye Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aS)-8-benzyloxy-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]acetamide CAS Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aS)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]acetamide IUPAC Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aS)-7-hydroxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide Traditional Name: N-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aS)-8-benzoxy-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2,4-dibenzoxy-6-(benzoxymethyl)tetrahydropyran-3-yl]acetamide Formula: C49H53NO11 MolecularWeight: 831.94522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COCC3=CC=CC=C3)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)OCC7=CC=CC=C7)O)OCC8=CC=CC=C8

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)COC(O5)C6=CC=CC=C6)OCC7=CC=CC=C7)O)OCC8=CC=CC=C8

InChI

InChI=1S/C49H53NO11/c1-33(51)50-41-45(54-28-35-19-9-3-10-20-35)43(39(31-53-27-34-17-7-2-8-18-34)58-48(41)56-30-37-23-13-5-14-24-37)61-49-42(52)46(55-29-36-21-11-4-12-22-36)44-40(59-49)32-57-47(60-44)38-25-15-6-16-26-38/h2-26,39-49,52H,27-32H2,1H3,(H,50,51)/t39-,40-,41-,42-,43-,44+,45-,46-,47?,48+,49+/m1/s1