[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-[2-[2-[4-(4-chlorophenyl)phenyl]ethanoylamino]ethyl]-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-[2-[2-[4-(4-chlorophenyl)phenyl]ethanoylamino]ethyl]-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-[2-[[2-[4-(4-chlorophenyl)phenyl]acetyl]amino]ethyl]-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-[2-[[2-[4-(4-chlorophenyl)phenyl]-1-oxoethyl]amino]ethyl]-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-[2-[[2-[4-(4-chlorophenyl)phenyl]acetyl]amino]ethyl]-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-[2-[[2-[4-(4-chlorophenyl)phenyl]acetyl]amino]ethyl]-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,10-diketo-3,5,7,9,11,13-hexamethyl-oxacyclotetradec-6-yl]oxy]-4-(dimethylamino)-6-methyl-tetrahydropyran-3-yl] ester Formula: C53H79ClN2O15 MolecularWeight: 1019.65176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(C(C(=O)OC(C(C(C(C(=O)C(CC2(C)O)C)C)O)(C)O)CCNC(=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C)OC5CC(C(C(O5)C)O)(C)OC)C)OC(=O)C)N(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)O)C)C)O)(C)O)CCNC(=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C)O[C@H]5C[C@@]([C@H]([C@@H](O5)C)O)(C)OC)C)OC(=O)C)N(C)C

InChI

InChI=1S/C53H79ClN2O15/c1-28-26-51(8,63)48(71-50-45(68-34(7)57)39(56(11)12)24-29(2)66-50)31(4)44(70-42-27-52(9,65-13)47(61)33(6)67-42)32(5)49(62)69-40(53(10,64)46(60)30(3)43(28)59)22-23-55-41(58)25-35-14-16-36(17-15-35)37-18-20-38(54)21-19-37/h14-21,28-33,39-40,42,44-48,50,60-61,63-64H,22-27H2,1-13H3,(H,55,58)/t28-,29-,30+,31+,32-,33+,39+,40-,42+,44+,45-,46-,47+,48-,50+,51-,52-,53-/m1/s1