[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-[(2R,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-(p-tolylsulfanyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-2-[(4-methylphenyl)thio]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-(4-methylphenyl)sulfanyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-[(2R,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-(p-tolylthio)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl] ester Formula: C63H66O11S MolecularWeight: 1031.25654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC6C(C(C(C(O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OC(=O)C

InChI

InChI=1S/C63H66O11S/c1-45-33-35-53(36-34-45)75-63-61(59(70-42-52-31-19-8-20-32-52)57(68-40-50-27-15-6-16-28-50)55(73-63)44-66-38-48-23-11-4-12-24-48)74-62-60(71-46(2)64)58(69-41-51-29-17-7-18-30-51)56(67-39-49-25-13-5-14-26-49)54(72-62)43-65-37-47-21-9-3-10-22-47/h3-36,54-63H,37-44H2,1-2H3/t54-,55-,56-,57-,58+,59+,60+,61+,62-,63-/m1/s1