[(2S,3R,4S,6R)-2-[[(1R,4R,6R,7R,8S,9S,10R,13R,14R)-17-[2-(3,4-dichlorophenyl)ethyl]-13-ethyl-6-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,6R)-2-[[(1R,4R,6R,7R,8S,9S,10R,13R,14R)-17-[2-(3,4-dichlorophenyl)ethyl]-13-ethyl-6-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-2-[[(1R,4R,6R,7R,8S,9S,10R,13R,14R)-17-[2-(3,4-dichlorophenyl)ethyl]-13-ethyl-6-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-2-[[(1R,4R,6R,7R,8S,9S,10R,13R,14R)-17-[2-(3,4-dichlorophenyl)ethyl]-13-ethyl-6-methoxy-9-[[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-2-oxanyl]oxy]-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-2-[[(1R,4R,6R,7R,8S,9S,10R,13R,14R)-17-[2-(3,4-dichlorophenyl)ethyl]-13-ethyl-6-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxyoxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-2-[[(1R,4R,6R,7R,8S,9S,10R,13R,14R)-17-[2-(3,4-dichlorophenyl)ethyl]-13-ethyl-3,11,16-triketo-6-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-7-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C52H84Cl2N2O14Si MolecularWeight: 1060.21986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O[Si](C)(C)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)OC(=O)C)(C)OC)C)C)N(C(=O)O2)CCC5=CC(=C(C=C5)Cl)Cl)C

Isomeric SMILES

CC[C@@H]1[C@]2([C@@H](C(C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O[Si](C)(C)C)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)OC(=O)C)(C)OC)C)C)N(C(=O)O2)CCC5=CC(=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C52H84Cl2N2O14Si/c1-19-39-52(11)44(56(49(60)69-52)23-22-35-20-21-36(53)37(54)25-35)30(4)41(58)28(2)26-50(9,61-14)45(68-48-43(65-34(8)57)38(55(12)13)24-29(3)63-48)31(5)42(32(6)47(59)66-39)67-40-27-51(10,62-15)46(33(7)64-40)70-71(16,17)18/h20-21,25,28-33,38-40,42-46,48H,19,22-24,26-27H2,1-18H3/t28-,29-,30?,31+,32-,33+,38+,39-,40+,42+,43-,44-,45-,46+,48+,50-,51-,52+/m1/s1