[(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-6-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-6-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6R)-6-[[(2R,4aR,7R,8R,8aS)-7-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C33H39NO16 MolecularWeight: 705.65986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2C(C3C(COC(O3)C4=CC=CC=C4)OC2O)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)[C@@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)C4=CC=CC=C4)OC2O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C

InChI

InChI=1S/C33H39NO16/c1-14-15(2)30(40)34(29(14)39)23-26(24-21(47-31(23)41)13-43-32(49-24)20-10-8-7-9-11-20)50-33-28(46-19(6)38)27(45-18(5)37)25(44-17(4)36)22(48-33)12-42-16(3)35/h7-11,21-28,31-33,41H,12-13H2,1-6H3/t21-,22-,23-,24-,25+,26-,27+,28-,31?,32-,33+/m1/s1