[(4aR,6R,7R,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-[(3-acetamido-4-chloranyl-phenyl)methoxy]-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl]oxy-7-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ethanoate

Systemtic Name: [(4aR,6R,7R,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-[(3-acetamido-4-chloranyl-phenyl)methoxy]-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl]oxy-7-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ethanoate Openeye Name: [(4aR,6R,7R,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-[(3-acetamido-4-chloro-phenyl)methoxy]-4,5-diacetoxy-2-(p-tolylsulfonyloxymethyl)tetrahydropyran-3-yl]oxy-7-acetoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate CAS Name: acetic acid [(4aR,6R,7R,8S,8aR)-6-[[(2R,3R,4S,5R,6R)-6-[(3-acetamido-4-chlorophenyl)methoxy]-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxanyl]oxy]-7-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester IUPAC Name: [(4aR,6R,7R,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-[(3-acetamido-4-chlorophenyl)methoxy]-4,5-diacetyloxy-2-[(4-methylphenyl)sulfonyloxymethyl]oxan-3-yl]oxy-7-acetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate Traditional Name: acetic acid [(4aR,6R,7R,8S,8aR)-6-[(2R,3R,4S,5R,6R)-6-(3-acetamido-4-chloro-benzyl)oxy-4,5-diacetoxy-2-(tosyloxymethyl)tetrahydropyran-3-yl]oxy-7-acetoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester Formula: C43H48ClNO18S MolecularWeight: 934.35512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OCC3=CC(=C(C=C3)Cl)NC(=O)C)OC(=O)C)OC(=O)C)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC(=C(C=C3)Cl)NC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)C6=CC=CC=C6)OC(=O)C)OC(=O)C

InChI

InChI=1S/C43H48ClNO18S/c1-22-12-15-30(16-13-22)64(51,52)55-21-34-36(37(56-24(3)47)39(58-26(5)49)42(60-34)53-19-28-14-17-31(44)32(18-28)45-23(2)46)63-43-40(59-27(6)50)38(57-25(4)48)35-33(61-43)20-54-41(62-35)29-10-8-7-9-11-29/h7-18,33-43H,19-21H2,1-6H3,(H,45,46)/t33-,34-,35-,36-,37+,38+,39-,40-,41?,42-,43-/m1/s1