[(3S,4S,5R,6R)-6-[(4-methoxyphenyl)methoxy]-4-(phenylcarbonyloxy)-5-[(2S,3R,4S,5R)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]oxy-oxan-3-yl] benzoate

Systemtic Name: [(3S,4S,5R,6R)-6-[(4-methoxyphenyl)methoxy]-4-(phenylcarbonyloxy)-5-[(2S,3R,4S,5R)-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]oxy-oxan-3-yl] benzoate Openeye Name: [(3S,4S,5R,6R)-4-benzoyloxy-6-[(4-methoxyphenyl)methoxy]-5-[(2S,3R,4S,5R)-3,4,5-tribenzoyloxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4S,5R,6R)-4-benzoyloxy-6-[(4-methoxyphenyl)methoxy]-5-[[(2S,3R,4S,5R)-3,4,5-tribenzoyloxy-2-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [(3S,4S,5R,6R)-4-benzoyloxy-6-[(4-methoxyphenyl)methoxy]-5-[(2S,3R,4S,5R)-3,4,5-tribenzoyloxyoxan-2-yl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4S,5R,6R)-4-benzoyloxy-6-p-anisyloxy-5-[(2S,3R,4S,5R)-3,4,5-tribenzoyloxytetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] ester Formula: C53H46O15 MolecularWeight: 922.92334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2C(C(C(CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC5C(C(C(CO5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

Isomeric SMILES

COC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C53H46O15/c1-59-40-29-27-34(28-30-40)31-60-52-45(43(65-49(56)37-21-11-4-12-22-37)41(32-61-52)63-47(54)35-17-7-2-8-18-35)68-53-46(67-51(58)39-25-15-6-16-26-39)44(66-50(57)38-23-13-5-14-24-38)42(33-62-53)64-48(55)36-19-9-3-10-20-36/h2-30,41-46,52-53H,31-33H2,1H3/t41-,42+,43-,44-,45+,46+,52+,53-/m0/s1