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

Systemtic Name: [(2S,3S,4R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2-oxidanylidene-10-(3-phenoxypropoxyimino)-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] tridecanoate Openeye Name: [(2S,3S,4R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(3-phenoxypropoxyimino)-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] tridecanoate CAS Name: tridecanoic acid [(2S,3S,4R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(3-phenoxypropoxyimino)-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2-oxo-10-(3-phenoxypropoxyimino)-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] tridecanoate Traditional Name: tridecanoic acid [(2S,3S,4R)-6-[[(3R,4S,5S,6R,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-2-keto-3,5,7,9,11,13-hexamethyl-10-(3-phenoxypropyloximino)-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-tetrahydropyran-3-yl] ester Formula: C59H102N2O15 MolecularWeight: 1079.44558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1C(OC(CC1(C)OC)OC2C(C(C(CC(C(=NOCCCOC3=CC=CC=C3)C(C(C(C(OC(=O)C2C)CC)(C)O)O)C)C)(C)O)OC4C(C(CC(O4)C)N(C)C)O)C)C

Isomeric SMILES

CCCCCCCCCCCCC(=O)O[C@H]1[C@@H](OC(C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H](C(C[C@H](/C(=N\OCCCOC3=CC=CC=C3)/[C@H]([C@H]([C@]([C@@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C

InChI

InChI=1S/C59H102N2O15/c1-15-17-18-19-20-21-22-23-24-28-32-47(62)74-54-43(8)72-48(37-58(54,10)68-14)75-51-41(6)53(76-56-50(63)45(61(12)13)35-39(4)71-56)57(9,66)36-38(3)49(60-70-34-29-33-69-44-30-26-25-27-31-44)40(5)52(64)59(11,67)46(16-2)73-55(65)42(51)7/h25-27,30-31,38-43,45-46,48,50-54,56,63-64,66-67H,15-24,28-29,32-37H2,1-14H3/b60-49+/t38-,39-,40-,41+,42-,43+,45+,46+,48?,50-,51+,52-,53-,54+,56+,57?,58-,59-/m1/s1