[(2S,3R,4R,5S,8R,10S,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-6-propyl-1-oxa-6-azacyclopentadec-4-yl] 4-fluoranylbenzoate

Systemtic Name: [(2S,3R,4R,5S,8R,10S,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-3,10-bis(oxidanyl)-15-oxidanylidene-6-propyl-1-oxa-6-azacyclopentadec-4-yl] 4-fluoranylbenzoate Openeye Name: [(2S,3R,4R,5S,8R,10S,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,8,10,12,14-hexamethyl-15-oxo-6-propyl-1-oxa-6-azacyclopentadec-4-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [(2S,3R,4R,5S,8R,10S,11R,12S,13S,14R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,10-dihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,8,10,12,14-hexamethyl-15-oxo-6-propyl-1-oxa-6-azacyclopentadec-4-yl] ester IUPAC Name: [(2S,3R,4R,5S,8R,10S,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-15-oxo-6-propyl-1-oxa-6-azacyclopentadec-4-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [(2S,3R,4R,5S,8R,10S,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,10-dihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,8,10,12,14-hexamethyl-6-propyl-1-oxa-6-azacyclopentadec-4-yl] ester Formula: C47H79FN2O13 MolecularWeight: 899.134163

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(CC(C(C(C(C(C(=O)OC(C(C(C1C)OC(=O)C2=CC=C(C=C2)F)(C)O)CC)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C

Isomeric SMILES

CCCN1C[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@H]([C@@]([C@@H]([C@@H]1C)OC(=O)C2=CC=C(C=C2)F)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C

InChI

InChI=1S/C47H79FN2O13/c1-15-21-50-25-26(3)23-45(9,55)40(63-44-37(51)34(49(12)13)22-27(4)58-44)28(5)38(61-36-24-46(10,57-14)39(52)31(8)59-36)29(6)42(53)60-35(16-2)47(11,56)41(30(50)7)62-43(54)32-17-19-33(48)20-18-32/h17-20,26-31,34-41,44,51-52,55-56H,15-16,21-25H2,1-14H3/t26-,27-,28+,29-,30+,31+,34+,35+,36+,37-,38+,39+,40-,41-,44+,45+,46-,47-/m1/s1