(2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-3,4-dimethoxy-3,5,6,8,10,12,14-heptamethyl-10-oxidanyl-13-[(E)-4-phenylbut-2-enoxy]-1-oxa-6-azacyclopentadecan-15-one

Systemtic Name: (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-3,4-dimethoxy-3,5,6,8,10,12,14-heptamethyl-10-oxidanyl-13-[(E)-4-phenylbut-2-enoxy]-1-oxa-6-azacyclopentadecan-15-one Openeye Name: (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-10-hydroxy-3,4-dimethoxy-3,5,6,8,10,12,14-heptamethyl-13-[(E)-4-phenylbut-2-enoxy]-1-oxa-6-azacyclopentadecan-15-one CAS Name: (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-10-hydroxy-3,4-dimethoxy-3,5,6,8,10,12,14-heptamethyl-13-[(E)-4-phenylbut-2-enoxy]-1-oxa-6-azacyclopentadecan-15-one IUPAC Name: (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-10-hydroxy-3,4-dimethoxy-3,5,6,8,10,12,14-heptamethyl-13-[(E)-4-phenylbut-2-enoxy]-1-oxa-6-azacyclopentadecan-15-one Traditional Name: (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-10-hydroxy-3,4-dimethoxy-3,5,6,8,10,12,14-heptamethyl-13-[(E)-4-phenylbut-2-enoxy]-1-oxa-6-azacyclopentadecan-15-one Formula: C42H72N2O9 MolecularWeight: 749.02908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OCC=CCC2=CC=CC=C2)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)OC)(C)OC

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC/C=C/CC2=CC=CC=C2)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)OC)(C)OC

InChI

InChI=1S/C42H72N2O9/c1-14-34-42(8,49-13)38(48-12)31(6)44(11)26-27(2)25-41(7,47)37(53-40-35(45)33(43(9)10)24-28(3)51-40)29(4)36(30(5)39(46)52-34)50-23-19-18-22-32-20-16-15-17-21-32/h15-21,27-31,33-38,40,45,47H,14,22-26H2,1-13H3/b19-18+/t27-,28-,29+,30-,31-,33+,34-,35-,36+,37-,38-,40+,41-,42-/m1/s1