S-[2-(2-iodanylphenyl)ethyl] (2S,4aR,6S,7S,8S,8aR)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbothioate

Systemtic Name: S-[2-(2-iodanylphenyl)ethyl] (2S,4aR,6S,7S,8S,8aR)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbothioate Openeye Name: S-[2-(2-iodophenyl)ethyl] (2S,4aR,6S,7S,8S,8aR)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-7,8-dibenzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbothioate CAS Name: (2S,4aR,6S,7S,8S,8aR)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbothioic acid S-[2-(2-iodophenyl)ethyl] ester IUPAC Name: S-[2-(2-iodophenyl)ethyl] (2S,4aR,6S,7S,8S,8aR)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carbothioate Traditional Name: (2S,4aR,6S,7S,8S,8aR)-6-[[(3aR,4R,6S,7S,7aR)-4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-7,8-dibenzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-2-carbothioic acid S-[2-(2-iodophenyl)ethyl] ester Formula: C46H51IO11S MolecularWeight: 938.86001

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2C(C(O1)OC)OC(O2)(C)C)OC3C(C(C4C(O3)COC(O4)(C5=CC=CC=C5)C(=O)SCCC6=CC=CC=C6I)OCC7=CC=CC=C7)OCC8=CC=CC=C8

Isomeric SMILES

C[C@H]1[C@@H]([C@@H]2[C@H]([C@@H](O1)OC)OC(O2)(C)C)O[C@H]3[C@H]([C@H]([C@H]4[C@H](O3)CO[C@](O4)(C5=CC=CC=C5)C(=O)SCCC6=CC=CC=C6I)OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C46H51IO11S/c1-29-36(39-41(42(49-4)53-29)57-45(2,3)56-39)55-43-40(51-27-31-18-10-6-11-19-31)38(50-26-30-16-8-5-9-17-30)37-35(54-43)28-52-46(58-37,33-21-12-7-13-22-33)44(48)59-25-24-32-20-14-15-23-34(32)47/h5-23,29,35-43H,24-28H2,1-4H3/t29-,35+,36-,37+,38-,39+,40-,41+,42+,43-,46-/m0/s1