[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[(2S,3S,4S,5R,6R)-2-octoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3S,4R,5R,6S)-5-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[(2S,3S,4S,5R,6R)-2-octoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,5R,6S)-3,4-diacetoxy-6-[(2R,3S,4R,5R,6S)-4-benzyloxy-2-(benzyloxymethyl)-6-[(2S,3S,4S,5R,6R)-4,5-dibenzyloxy-6-(benzyloxymethyl)-2-octoxy-tetrahydropyran-3-yl]oxy-5-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-3-yl]oxy-5-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,5R,6S)-3,4-diacetyloxy-5-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-6-[[(2R,3S,4R,5R,6S)-5-(1,3-dioxo-2-isoindolyl)-6-[[(2S,3S,4S,5R,6R)-2-octoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-oxanyl]oxy]-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R,6S)-3,4-diacetyloxy-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-6-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-[(2S,3S,4S,5R,6R)-2-octoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,5R,6S)-3,4-diacetoxy-6-[(2R,3S,4R,5R,6S)-4-benzoxy-2-(benzoxymethyl)-6-[(2S,3S,4S,5R,6R)-4,5-dibenzoxy-6-(benzoxymethyl)-2-octoxy-tetrahydropyran-3-yl]oxy-5-phthalimido-tetrahydropyran-3-yl]oxy-5-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)tetrahydropyran-2-yl]methyl ester Formula: C81H92N2O21 MolecularWeight: 1429.59798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC5C(C(C(C(O5)COCC6=CC=CC=C6)OC7C(C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)N8C(=O)C(=C(C8=O)C)C)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COCC6=CC=CC=C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)COC(=O)C)OC(=O)C)OC(=O)C)N8C(=O)C(=C(C8=O)C)C)OCC9=CC=CC=C9)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C81H92N2O21/c1-7-8-9-10-11-29-42-93-81-74(73(97-47-60-38-25-16-26-39-60)68(95-45-58-34-21-14-22-35-58)63(102-81)48-91-43-56-30-17-12-18-31-56)104-79-66(83-77(89)61-40-27-28-41-62(61)78(83)90)71(96-46-59-36-23-15-24-37-59)69(64(100-79)49-92-44-57-32-19-13-20-33-57)103-80-67(82-75(87)51(2)52(3)76(82)88)72(99-55(6)86)70(98-54(5)85)65(101-80)50-94-53(4)84/h12-28,30-41,63-74,79-81H,7-11,29,42-50H2,1-6H3/t63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73+,74+,79+,80+,81+/m1/s1