[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-10-[(2-chlorophenyl)methoxyimino]-14-ethyl-12-methoxy-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,13-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] (phenylmethyl) carbonate

Systemtic Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-10-[(2-chlorophenyl)methoxyimino]-14-ethyl-12-methoxy-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,13-bis(oxidanyl)-2-oxidanylidene-1-oxacyclotetradec-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] (phenylmethyl) carbonate Openeye Name: benzyl [(2S,3R,4S,6R)-4-[benzyloxycarbonyl(methyl)amino]-2-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-10-[(2-chlorophenyl)methoxyimino]-14-ethyl-7,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-12-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] carbonate CAS Name: carbonic acid [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-10-[(2-chlorophenyl)methoxyimino]-14-ethyl-7,13-dihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-12-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]-3-oxanyl] (phenylmethyl) ester IUPAC Name: benzyl [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-10-[(2-chlorophenyl)methoxyimino]-14-ethyl-7,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-12-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yl]oxy]-6-methyl-4-[methyl(phenylmethoxycarbonyl)amino]oxan-3-yl] carbonate Traditional Name: carbonic acid benzyl [(2S,3R,4S,6R)-4-[carbobenzoxy(methyl)amino]-2-[[(3R,4S,5S,6R,7R,9R,10E,11S,12R,13R,14R)-10-(2-chlorobenzyl)oximino-14-ethyl-7,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2-keto-12-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-yl]oxy]-6-methyl-tetrahydropyran-3-yl] ester Formula: C60H85ClN2O17 MolecularWeight: 1141.7731

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCC2=CC=CC=C2Cl)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(=O)OCC5=CC=CC=C5)OC(=O)OCC6=CC=CC=C6)(C)O)C)C)OC)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCC2=CC=CC=C2Cl)/[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)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(=O)OCC5=CC=CC=C5)OC(=O)OCC6=CC=CC=C6)(C)O)C)C)OC)(C)O

InChI

InChI=1S/C60H85ClN2O17/c1-14-46-60(10,69)53(70-12)37(4)48(62-74-34-43-27-21-22-28-44(43)61)35(2)30-58(8,68)52(38(5)49(39(6)54(65)77-46)78-47-31-59(9,71-13)51(64)40(7)76-47)80-55-50(79-57(67)73-33-42-25-19-16-20-26-42)45(29-36(3)75-55)63(11)56(66)72-32-41-23-17-15-18-24-41/h15-28,35-40,45-47,49-53,55,64,68-69H,14,29-34H2,1-13H3/b62-48+/t35-,36-,37+,38+,39-,40+,45+,46-,47+,49+,50-,51+,52-,53-,55+,58-,59-,60-/m1/s1