[(2R,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-5-acetyloxy-4-tert-butylsulfanyloxy-6-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylsulfanyloxy-oxan-2-yl]oxy-2-[(4-methylphenyl)sulfonyloxymethyl]-6-(2-trimethylsilylethoxy)oxan-3-yl] ethanoate

Systemtic Name: [(2R,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-5-acetyloxy-4-tert-butylsulfanyloxy-6-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylsulfanyloxy-oxan-2-yl]oxy-2-[(4-methylphenyl)sulfonyloxymethyl]-6-(2-trimethylsilylethoxy)oxan-3-yl] ethanoate Openeye Name: [(2R,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-5-acetoxy-4-tert-butylsulfanyloxy-3-phenylsulfanyloxy-6-(p-tolylsulfonyloxymethyl)tetrahydropyran-2-yl]oxy-2-(p-tolylsulfonyloxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3S,4R,6R)-4-[[(2R,3R,4S,5R,6R)-5-acetyloxy-4-(tert-butylthio)oxy-6-[(4-methylphenyl)sulfonyloxymethyl]-3-(phenylthio)oxy-2-oxanyl]oxy]-2-[(4-methylphenyl)sulfonyloxymethyl]-6-(2-trimethylsilylethoxy)-3-oxanyl] ester IUPAC Name: [(2R,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-5-acetyloxy-4-tert-butylsulfanyloxy-6-[(4-methylphenyl)sulfonyloxymethyl]-3-phenylsulfanyloxyoxan-2-yl]oxy-2-[(4-methylphenyl)sulfonyloxymethyl]-6-(2-trimethylsilylethoxy)oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4R,6R)-4-[(2R,3R,4S,5R,6R)-5-acetoxy-4-(tert-butylthio)oxy-3-(phenylthio)oxy-6-(tosyloxymethyl)tetrahydropyran-2-yl]oxy-2-(tosyloxymethyl)-6-(2-trimethylsilylethoxy)tetrahydropyran-3-yl] ester Formula: C45H62O16S4Si MolecularWeight: 1015.30968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(CC(O2)OCC[Si](C)(C)C)OC3C(C(C(C(O3)COS(=O)(=O)C4=CC=C(C=C4)C)OC(=O)C)OSC(C)(C)C)OSC5=CC=CC=C5)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H]([C@@H](C[C@@H](O2)OCC[Si](C)(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)C4=CC=C(C=C4)C)OC(=O)C)OSC(C)(C)C)OSC5=CC=CC=C5)OC(=O)C

InChI

InChI=1S/C45H62O16S4Si/c1-29-16-20-34(21-17-29)64(48,49)53-27-37-40(55-31(3)46)36(26-39(57-37)52-24-25-66(8,9)10)58-44-43(60-62-33-14-12-11-13-15-33)42(61-63-45(5,6)7)41(56-32(4)47)38(59-44)28-54-65(50,51)35-22-18-30(2)19-23-35/h11-23,36-44H,24-28H2,1-10H3/t36-,37-,38-,39-,40+,41-,42+,43-,44-/m1/s1