[(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] nonanoate

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] nonanoate 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] nonanoate CAS Name: nonanoic 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] nonanoate Traditional Name: pelargonic 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: C55H94N2O15 MolecularWeight: 1023.33926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=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

CCCCCCCCC(=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/C55H94N2O15/c1-15-17-18-19-20-24-28-43(58)70-50-39(8)68-44(33-54(50,10)64-14)71-47-37(6)49(72-52-46(59)41(57(12)13)31-35(4)67-52)53(9,62)32-34(3)45(56-66-30-25-29-65-40-26-22-21-23-27-40)36(5)48(60)55(11,63)42(16-2)69-51(61)38(47)7/h21-23,26-27,34-39,41-42,44,46-50,52,59-60,62-63H,15-20,24-25,28-33H2,1-14H3/b56-45+/t34-,35-,36-,37+,38-,39+,41+,42+,44?,46-,47+,48-,49-,50+,52+,53?,54-,55-/m1/s1