(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(E)-4-(4-fluorophenyl)but-2-enoxy]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-diene-3-carbonitrile

Systemtic Name: (2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(E)-4-(4-fluorophenyl)but-2-enoxy]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5,9,13-trimethyl-14-oxidanyl-8,16-bis(oxidanylidene)-11-(2-oxidanylideneethyl)-1-oxacyclohexadeca-4,6-diene-3-carbonitrile Openeye Name: (2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(E)-4-(4-fluorophenyl)but-2-enoxy]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-diene-3-carbonitrile CAS Name: (2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(E)-4-(4-fluorophenyl)but-2-enoxy]-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-diene-3-carbonitrile IUPAC Name: (2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(E)-4-(4-fluorophenyl)but-2-enoxy]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-diene-3-carbonitrile Traditional Name: (2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(E)-4-(4-fluorophenyl)but-2-enoxy]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-14-hydroxy-8,16-diketo-11-(2-ketoethyl)-5,9,13-trimethyl-1-oxacyclohexadeca-4,6-diene-3-carbonitrile Formula: C41H57FN2O9 MolecularWeight: 740.897683

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OCC=CCC3=CC=C(C=C3)F)N(C)C)O)CC=O)C)C)C#N

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC/C=C/CC3=CC=C(C=C3)F)N(C)C)O)CC=O)C)\C)C#N

InChI

InChI=1S/C41H57FN2O9/c1-8-35-31(24-43)21-25(2)12-17-33(46)26(3)22-30(18-19-45)39(27(4)34(47)23-36(48)52-35)53-41-38(49)37(44(6)7)40(28(5)51-41)50-20-10-9-11-29-13-15-32(42)16-14-29/h9-10,12-17,19,21,26-28,30-31,34-35,37-41,47,49H,8,11,18,20,22-23H2,1-7H3/b10-9+,17-12+,25-21+/t26-,27+,28-,30+,31-,34-,35-,37-,38-,39-,40-,41+/m1/s1