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

Systemtic Name: (phenylmethyl) 2-[[(2R,3R,4R,5S,6S)-4-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5R,6R)-4-[(4-methoxyphenyl)methoxy]-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-2-yl]oxy-4-methyl-4-oxidanyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-methyl-3-(phenylcarbonyloxy)-5-phenylmethoxy-oxan-2-yl]oxymethyl]benzoate Openeye Name: benzyl 2-[[(2R,3R,4R,5S,6S)-3-benzoyloxy-4-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5R,6R)-3-benzoyloxy-5-benzyloxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-tetrahydropyran-2-yl]oxy-5-benzyloxy-6-(benzyloxymethyl)-4-hydroxy-4-methyl-tetrahydropyran-2-yl]oxy-5-benzyloxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]benzoate CAS Name: 2-[[(2R,3R,4R,5S,6S)-3-benzoyloxy-4-[[(2R,3S,4S,5R,6R)-3-[[(2R,3S,4S,5R,6R)-3-benzoyloxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxy-2-oxanyl]oxy]-4-hydroxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-6-methyl-5-phenylmethoxy-2-oxanyl]oxymethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2R,3R,4R,5S,6S)-3-benzoyloxy-4-[(2R,3S,4S,5R,6R)-3-[(2R,3S,4S,5R,6R)-3-benzoyloxy-4-[(4-methoxyphenyl)methoxy]-6-methyl-5-phenylmethoxyoxan-2-yl]oxy-4-hydroxy-4-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-methyl-5-phenylmethoxyoxan-2-yl]oxymethyl]benzoate Traditional Name: 2-[[(2R,3R,4R,5S,6S)-5-benzoxy-4-[(2R,3S,4S,5R,6R)-5-benzoxy-3-[(2R,3S,4S,5R,6R)-5-benzoxy-3-benzoyloxy-6-methyl-4-p-anisyloxy-tetrahydropyran-2-yl]oxy-6-(benzoxymethyl)-4-hydroxy-4-methyl-tetrahydropyran-2-yl]oxy-3-benzoyloxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]benzoic acid benzyl ester Formula: C84H86O19 MolecularWeight: 1399.57024

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC2=CC=CC=C2C(=O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)(C)O)OC8C(C(C(C(O8)C)OCC9=CC=CC=C9)OCC1=CC=C(C=C1)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)OCC2=CC=CC=C2C(=O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O[C@@H]5[C@H]([C@@]([C@@H]([C@H](O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)(C)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)C)OCC9=CC=CC=C9)OCC1=CC=C(C=C1)OC)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C84H86O19/c1-56-70(91-49-59-30-14-6-15-31-59)72(93-51-63-44-46-67(89-4)47-45-63)74(100-78(85)64-38-22-10-23-39-64)82(98-56)103-77-83(99-69(55-90-48-58-28-12-5-13-29-58)76(84(77,3)88)94-52-61-34-18-8-19-35-61)102-73-71(92-50-60-32-16-7-17-33-60)57(2)97-81(75(73)101-79(86)65-40-24-11-25-41-65)96-54-66-42-26-27-43-68(66)80(87)95-53-62-36-20-9-21-37-62/h5-47,56-57,69-77,81-83,88H,48-55H2,1-4H3/t56-,57+,69-,70-,71+,72+,73-,74+,75-,76-,77-,81-,82-,83-,84+/m1/s1