[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-4,5-bis(2,2-dimethylpropanoyloxy)-6-methyl-3-phenylmethoxy-oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-pent-4-enoxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate

Systemtic Name: [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-4,5-bis(2,2-dimethylpropanoyloxy)-6-methyl-3-phenylmethoxy-oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-pent-4-enoxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate Openeye Name: [(2R,3S,4R,5R,6R)-2-(benzyloxymethyl)-3-[(2S,3R,4S,5S,6R)-4,5-dibenzyloxy-3-[(2S,3S,4R,5R,6S)-3-benzyloxy-4,5-bis(2,2-dimethylpropanoyloxy)-6-methyl-tetrahydropyran-2-yl]oxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-5-(1,3-dioxoisoindolin-2-yl)-6-pent-4-enoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S,6R)-5-[[(2S,3R,4S,5S,6R)-3-[[(2S,3S,4R,5R,6S)-4,5-bis(2,2-dimethyl-1-oxopropoxy)-6-methyl-3-phenylmethoxy-2-oxanyl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-3-(1,3-dioxo-2-isoindolyl)-2-pent-4-enoxy-6-(phenylmethoxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2S,3S,4R,5R,6S)-4,5-bis(2,2-dimethylpropanoyloxy)-6-methyl-3-phenylmethoxyoxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-3-(1,3-dioxoisoindol-2-yl)-2-pent-4-enoxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate Traditional Name: benzoic acid [(2R,3S,4R,5R,6R)-2-(benzoxymethyl)-3-[(2S,3R,4S,5S,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-3-[(2S,3S,4R,5R,6S)-3-benzoxy-6-methyl-4,5-dipivaloyloxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-pent-4-enoxy-5-phthalimido-tetrahydropyran-4-yl] ester Formula: C83H93NO19 MolecularWeight: 1408.62182

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(C(C3OC(=O)C4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)OCCCC=C)COCC7=CC=CC=C7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)OCCCC=C)COCC7=CC=CC=C7)COCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C83H93NO19/c1-9-10-31-46-92-77-65(84-74(85)61-44-29-30-45-62(61)75(84)86)69(99-76(87)60-42-27-16-28-43-60)68(64(97-77)53-91-48-56-34-19-12-20-35-56)100-79-73(101-78-72(95-51-59-40-25-15-26-41-59)71(103-81(89)83(6,7)8)66(54(2)96-78)102-80(88)82(3,4)5)70(94-50-58-38-23-14-24-39-58)67(93-49-57-36-21-13-22-37-57)63(98-79)52-90-47-55-32-17-11-18-33-55/h9,11-30,32-45,54,63-73,77-79H,1,10,31,46-53H2,2-8H3/t54-,63+,64+,65+,66+,67-,68+,69+,70-,71+,72-,73+,77+,78-,79-/m0/s1