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

Systemtic Name: [(1R,2R,3S,4R,6S,7R,8S,9S,10R,14R)-3-azanyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-oxidanyl-11,16-bis(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-phenyl-2-propoxy-ethanoate Openeye Name: [(1R,2R,3S,4R,6S,7R,8S,9S,10R,14R)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-phenyl-2-propoxy-acetate CAS Name: 2-phenyl-2-propoxyacetic acid [(1R,2R,3S,4R,6S,7R,8S,9S,10R,14R)-3-amino-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] ester IUPAC Name: [(1R,2R,3S,4R,6S,7R,8S,9S,10R,14R)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6-hydroxy-2,4,6,8,10,14-hexamethyl-11,16-dioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] 2-phenyl-2-propoxyacetate Traditional Name: 2-phenyl-2-propoxy-acetic acid [(1R,2R,3S,4R,6S,7R,8S,9S,10R,14R)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-hydroxy-11,16-diketo-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-9-yl] ester Formula: C41H66N2O12 MolecularWeight: 778.96894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(C1=CC=CC=C1)C(=O)OC2C(C(C(CC(C(C(C3C(C(OC(=O)C2C)CC)(OC(=O)O3)C)C)N)C)(C)O)OC4C(C(CC(O4)C)N(C)C)O)C

Isomeric SMILES

CCCOC(C1=CC=CC=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@](C[C@H]([C@@H]([C@H]([C@@H]3[C@@](C(OC(=O)[C@@H]2C)CC)(OC(=O)O3)C)C)N)C)(C)O)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C

InChI

InChI=1S/C41H66N2O12/c1-12-19-49-33(27-17-15-14-16-18-27)37(46)52-32-25(6)34(53-38-31(44)28(43(10)11)20-23(4)50-38)40(8,48)21-22(3)30(42)24(5)35-41(9,55-39(47)54-35)29(13-2)51-36(45)26(32)7/h14-18,22-26,28-35,38,44,48H,12-13,19-21,42H2,1-11H3/t22-,23-,24-,25+,26-,28+,29?,30+,31-,32+,33?,34-,35-,38+,40+,41-/m1/s1