[(1R,2R,4R,6S,7R,8S,9R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-(methoxymethoxy)-2-phenyl-ethanoate

Systemtic Name: [(1R,2R,4R,6S,7R,8S,9R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-(methoxymethoxy)-2-phenyl-ethanoate Openeye Name: [(1R,2R,4R,6S,7R,8S,9R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-(methoxymethoxy)-2-phenyl-acetate CAS Name: 2-(methoxymethoxy)-2-phenylacetic acid [(1R,2R,4R,6S,7R,8S,9R,10R,13R,14R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] ester IUPAC Name: [(1R,2R,4R,6S,7R,8S,9R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-(methoxymethoxy)-2-phenylacetate Traditional Name: 2-(methoxymethoxy)-2-phenyl-acetic acid [(1R,2R,4R,6S,7R,8S,9R,10R,13R,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3,11,16-triketo-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] ester Formula: C41H63NO14 MolecularWeight: 793.93722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC(=O)C(C3=CC=CC=C3)OCOC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@H]([C@H](C(=O)O1)C)OC(=O)C(C3=CC=CC=C3)OCOC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)OC)C)C)OC(=O)O2)C

InChI

InChI=1S/C41H63NO14/c1-13-29-41(8)35(55-39(47)56-41)24(4)30(43)22(2)20-40(7,49-12)34(54-38-31(44)28(42(9)10)19-23(3)51-38)25(5)32(26(6)36(45)52-29)53-37(46)33(50-21-48-11)27-17-15-14-16-18-27/h14-18,22-26,28-29,31-35,38,44H,13,19-21H2,1-12H3/t22-,23-,24+,25+,26-,28+,29-,31-,32-,33?,34-,35-,38+,40+,41-/m1/s1