[(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] heptanoate

Systemtic Name: [(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] heptanoate Openeye Name: [(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] heptanoate CAS Name: heptanoic acid [(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] ester IUPAC Name: [(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] heptanoate Traditional Name: enanthic acid [(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] ester Formula: C45H76N2O12 MolecularWeight: 837.09114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1C(C(C(CC(C(=NOCCCOC2=CC=CC=C2)C(C(C(C(OC(=O)C1C)CC)(C)O)O)C)C)(C)O)OC3C(C(CC(O3)C)N(C)C)O)C

Isomeric SMILES

CCCCCCC(=O)O[C@H]1[C@@H]([C@H](C(C[C@H](/C(=N\OCCCOC2=CC=CC=C2)/[C@H]([C@H]([C@]([C@@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C

InChI

InChI=1S/C45H76N2O12/c1-12-14-15-19-23-36(48)58-39-31(6)41(59-43-38(49)34(47(10)11)26-29(4)56-43)44(8,52)27-28(3)37(46-55-25-20-24-54-33-21-17-16-18-22-33)30(5)40(50)45(9,53)35(13-2)57-42(51)32(39)7/h16-18,21-22,28-32,34-35,38-41,43,49-50,52-53H,12-15,19-20,23-27H2,1-11H3/b46-37+/t28-,29-,30-,31+,32-,34+,35+,38-,39+,40-,41-,43+,44?,45-/m1/s1