[(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] heptanoate

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] heptanoate 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] heptanoate CAS Name: heptanoic 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] heptanoate Traditional Name: enanthic 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: C53H90N2O15 MolecularWeight: 995.2861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=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

CCCCCCC(=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/C53H90N2O15/c1-15-17-18-22-26-41(56)68-48-37(8)66-42(31-52(48,10)62-14)69-45-35(6)47(70-50-44(57)39(55(12)13)29-33(4)65-50)51(9,60)30-32(3)43(54-64-28-23-27-63-38-24-20-19-21-25-38)34(5)46(58)53(11,61)40(16-2)67-49(59)36(45)7/h19-21,24-25,32-37,39-40,42,44-48,50,57-58,60-61H,15-18,22-23,26-31H2,1-14H3/b54-43+/t32-,33-,34-,35+,36-,37+,39+,40+,42?,44-,45+,46-,47-,48+,50+,51?,52-,53-/m1/s1