[(3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(Z)-hex-3-enoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methoxy]-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(3S,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(Z)-hex-3-enoxy]-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methoxy]-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(3S,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(Z)-hex-3-enoxy]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(Z)-hex-3-enoxy]-2-oxanyl]methoxy]-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(Z)-hex-3-enoxy]oxan-2-yl]methoxy]oxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[(Z)-hex-3-enoxy]tetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] ester Formula: C59H54O16 MolecularWeight: 1019.05046

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCOC1C(C(C(C(O1)COC2C(C(C(CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

CC/C=C\CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C59H54O16/c1-2-3-4-23-36-66-59-51(75-57(65)44-34-21-10-22-35-44)49(73-55(63)42-30-17-8-18-31-42)47(71-53(61)40-26-13-6-14-27-40)46(70-59)38-68-58-50(74-56(64)43-32-19-9-20-33-43)48(72-54(62)41-28-15-7-16-29-41)45(37-67-58)69-52(60)39-24-11-5-12-25-39/h3-22,24-35,45-51,58-59H,2,23,36-38H2,1H3/b4-3-/t45-,46+,47+,48-,49-,50+,51+,58-,59+/m0/s1