[(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[8-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[8-oxidanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-[(8-hydroxy-1,4-dioxo-2-naphthyl)oxy]-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-[(8-hydroxy-1,4-dioxo-2-naphthalenyl)oxy]-3-[[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-4,5-diacetyloxy-6-(8-hydroxy-1,4-dioxonaphthalen-2-yl)oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-4,5-diacetoxy-6-(8-hydroxy-1,4-diketo-2-naphthoxy)-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C36H40O21 MolecularWeight: 808.6902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2=CC(=O)C3=C(C2=O)C(=CC=C3)O)OC(=O)C)OC(=O)C)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC(=O)C3=C(C2=O)C(=CC=C3)O)OC(=O)C)OC(=O)C)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C36H40O21/c1-14(37)47-12-25-29(49-16(3)39)31(50-17(4)40)34(53-20(7)43)36(56-25)57-30-26(13-48-15(2)38)55-35(33(52-19(6)42)32(30)51-18(5)41)54-24-11-23(45)21-9-8-10-22(44)27(21)28(24)46/h8-11,25-26,29-36,44H,12-13H2,1-7H3/t25-,26-,29-,30-,31+,32+,33-,34-,35-,36-/m1/s1