[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-cyclohexyloxy-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl]oxy-4-methyl-4-oxidanyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-cyclohexyloxy-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-4-yl]oxy-4-methyl-4-oxidanyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-3-benzoyloxy-5-benzyloxy-2-(cyclohexoxy)-6-methyl-tetrahydropyran-4-yl]oxy-5-benzyloxy-6-(benzyloxymethyl)-4-hydroxy-4-methyl-tetrahydropyran-3-yl]oxy-5-benzyloxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S,6S)-3-benzoyloxy-2-cyclohexyloxy-6-methyl-5-phenylmethoxy-4-oxanyl]oxy]-4-hydroxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-3-benzoyloxy-2-cyclohexyloxy-6-methyl-5-phenylmethoxyoxan-4-yl]oxy-4-hydroxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4S,5R,6R)-5-benzoxy-2-[(2R,3S,4S,5R,6R)-5-benzoxy-2-[(2R,3R,4R,5S,6S)-5-benzoxy-3-benzoyloxy-2-(cyclohexoxy)-6-methyl-tetrahydropyran-4-yl]oxy-6-(benzoxymethyl)-4-hydroxy-4-methyl-tetrahydropyran-3-yl]oxy-6-methyl-4-p-anisyloxy-tetrahydropyran-3-yl] ester Formula: C75H84O17 MolecularWeight: 1257.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCCCC2)OC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)(C)O)OC7C(C(C(C(O7)C)OCC8=CC=CC=C8)OCC9=CC=C(C=C9)OC)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@]2(C)O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)O[C@@H]5[C@H]([C@@H](O[C@H]([C@@H]5OC(=O)C6=CC=CC=C6)OC7CCCCC7)C)OCC8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OCC1=CC=C(C=C1)OC)OCC1=CC=CC=C1

InChI

InChI=1S/C75H84O17/c1-50-62(81-45-53-28-14-6-15-29-53)64(83-47-56-40-42-59(79-4)43-41-56)66(89-70(76)57-34-20-9-21-35-57)73(86-50)92-69-74(88-61(49-80-44-52-26-12-5-13-27-52)68(75(69,3)78)84-48-55-32-18-8-19-33-55)91-65-63(82-46-54-30-16-7-17-31-54)51(2)85-72(87-60-38-24-11-25-39-60)67(65)90-71(77)58-36-22-10-23-37-58/h5-10,12-23,26-37,40-43,50-51,60-69,72-74,78H,11,24-25,38-39,44-49H2,1-4H3/t50-,51+,61-,62-,63+,64+,65-,66+,67-,68-,69-,72+,73-,74-,75+/m1/s1