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

Systemtic Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8R,8aS)-6-[(2R,3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-7-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8R,8aS)-6-[(2R,3S,4R,5R,6S)-4-benzyloxy-2-(benzyloxymethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)tetrahydropyran-3-yl]oxy-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4-benzyloxy-2-(benzyloxymethyl)-5-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)tetrahydropyran-3-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4S,5R,6S)-6-[[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8R,8aS)-6-[[(2R,3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-3,4,5-triacetyloxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8R,8aS)-6-[(2R,3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8R,8aS)-6-[(2R,3S,4R,5R,6S)-4-benzoxy-2-(benzoxymethyl)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)tetrahydropyran-3-yl]oxy-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4-benzoxy-2-(benzoxymethyl)-5-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)tetrahydropyran-3-yl]oxy-3,4,5-triacetoxy-tetrahydropyran-2-yl]methyl ester Formula: C85H102N2O27Si MolecularWeight: 1611.80208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2C(C(C(OC2OC3C(C(OC4C3OC(OC4)C5=CC=CC=C5)OC6C(OC(C(C6OCC7=CC=CC=C7)N8C(=O)C(=C(C8=O)C)C)O[Si](C)(C)C(C)(C)C)COCC9=CC=CC=C9)O)COCC1=CC=CC=C1)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC1=CC=CC=C1)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@@H](O[C@H]4[C@@H]3O[C@H](OC4)C5=CC=CC=C5)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6OCC7=CC=CC=C7)N8C(=O)C(=C(C8=O)C)C)O[Si](C)(C)C(C)(C)C)COCC9=CC=CC=C9)O)COCC1=CC=CC=C1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC1=CC=CC=C1)C

InChI

InChI=1S/C85H102N2O27Si/c1-47-48(2)77(94)86(76(47)93)64-71(100-41-57-33-23-16-24-34-57)68(112-84-75(105-54(8)91)74(104-53(7)90)70(103-52(6)89)62(109-84)45-99-51(5)88)60(43-97-39-55-29-19-14-20-30-55)106-81(64)113-73-66(92)83(108-63-46-102-80(110-69(63)73)59-37-27-18-28-38-59)111-67-61(44-98-40-56-31-21-15-22-32-56)107-82(114-115(12,13)85(9,10)11)65(87-78(95)49(3)50(4)79(87)96)72(67)101-42-58-35-25-17-26-36-58/h14-38,60-75,80-84,92H,39-46H2,1-13H3/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71-,72-,73-,74+,75-,80+,81+,82+,83+,84+/m1/s1