(1R,6R,7R,8R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,10,14-hexamethyl-17-methylidene-6-prop-2-ynoxy-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione

Systemtic Name: (1R,6R,7R,8R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,10,14-hexamethyl-17-methylidene-6-prop-2-ynoxy-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione Openeye Name: (1R,6R,7R,8R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-17-methylene-6-prop-2-ynoxy-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione CAS Name: (1R,6R,7R,8R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-17-methylene-6-prop-2-ynoxy-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione IUPAC Name: (1R,6R,7R,8R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-17-methylidene-6-prop-2-ynoxy-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione Traditional Name: (1R,6R,7R,8R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-17-methylene-6-propargyloxy-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione Formula: C35H54FNO9 MolecularWeight: 651.802963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC#C)C)C)C(=C)CO2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@H](C(C(=O)C(C[C@@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OCC#C)C)C)C(=C)CO2)C

InChI

InChI=1S/C35H54FNO9/c1-13-15-42-33(8)17-19(3)27(38)22(6)26-20(4)18-43-35(26,10)25(14-2)45-32(41)34(9,36)29(40)23(7)30(33)46-31-28(39)24(37(11)12)16-21(5)44-31/h1,19,21-26,28,30-31,39H,4,14-18H2,2-3,5-12H3/t19?,21-,22?,23+,24+,25-,26+,28-,30-,31+,33-,34?,35-/m1/s1