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

Systemtic Name: [(3R,4S,5R,6S)-6-[(2S,3S,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2S,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-[(2R,3R,4S,5R,6S)-4,5-dibenzyloxy-2-(benzyloxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-3-oxanyl] ester IUPAC Name: [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2S,3S,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[(2S,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-[(2R,3R,4S,5R,6S)-4,5-dibenzoxy-2-(benzoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl] ester Formula: C81H80O18 MolecularWeight: 1341.4911

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC7C(C(C(CO7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H](CO7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)OC(=O)C1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

InChI

InChI=1S/C81H80O18/c1-85-79-73(91-52-61-39-21-7-22-40-61)72(90-51-60-37-19-6-20-38-60)69(66(94-79)54-87-48-57-31-13-3-14-32-57)98-81-75(71(89-50-59-35-17-5-18-36-59)68(88-49-58-33-15-4-16-34-58)65(95-81)53-86-47-56-29-11-2-12-30-56)99-80-74(97-78(84)64-45-27-10-28-46-64)70(96-77(83)63-43-25-9-26-44-63)67(55-92-80)93-76(82)62-41-23-8-24-42-62/h2-46,65-75,79-81H,47-55H2,1H3/t65-,66-,67-,68-,69-,70+,71+,72+,73-,74-,75+,79+,80+,81+/m1/s1