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

Systemtic Name: (7R,8R,10R,14S)-7-[(2R,3S,6S)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-17-methylidene-6-[3-(4-thiophen-2-ylpyrimidin-2-yl)prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione Openeye Name: (7R,8R,10R,14S)-7-[(2R,3S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-17-methylene-6-[3-[4-(2-thienyl)pyrimidin-2-yl]prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione CAS Name: (7R,8R,10R,14S)-7-[[(2R,3S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-2,4,6,8,10,14-hexamethyl-17-methylene-6-[3-(4-thiophen-2-yl-2-pyrimidinyl)prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione IUPAC Name: (7R,8R,10R,14S)-7-[(2R,3S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-17-methylidene-6-[3-(4-thiophen-2-ylpyrimidin-2-yl)prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione Traditional Name: (7R,8R,10R,14S)-7-[(2R,3S,6S)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-17-methylene-6-[3-[4-(2-thienyl)pyrimidin-2-yl]prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,9,11-trione Formula: C43H59N3O9S MolecularWeight: 794.00826

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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)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC#CC4=NC=CC(=N4)C5=CC=CS5)C)C)C(=C)CO2)C

Isomeric SMILES

CCC1[C@@]2(C(C(C(=O)C(CC([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]3[C@H](C(C[C@@H](O3)C)N(C)C)O)(C)OCC#CC4=NC=CC(=N4)C5=CC=CS5)C)C)C(=C)CO2)C

InChI

InChI=1S/C43H59N3O9S/c1-12-33-43(9)35(25(3)23-52-43)27(5)36(47)24(2)22-42(8,51-19-13-16-34-44-18-17-30(45-34)32-15-14-20-56-32)39(28(6)37(48)29(7)40(50)54-33)55-41-38(49)31(46(10)11)21-26(4)53-41/h14-15,17-18,20,24,26-29,31,33,35,38-39,41,49H,3,12,19,21-23H2,1-2,4-11H3/t24?,26-,27?,28-,29+,31?,33?,35?,38-,39+,41+,42?,43+/m0/s1