(1R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-9-[(2R,4R,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylidene-6-(3-pyridin-2-ylprop-2-ynoxy)-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione

Systemtic Name: (1R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-9-[(2R,4R,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylidene-6-(3-pyridin-2-ylprop-2-ynoxy)-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione Openeye Name: (1R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(2R,4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylene-6-[3-(2-pyridyl)prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione CAS Name: (1R,6R,7R,8S,9S,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-9-[[(2R,4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,6,8,10,14-hexamethyl-17-methylene-6-[3-(2-pyridinyl)prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione IUPAC Name: (1R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-9-[(2R,4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylidene-6-(3-pyridin-2-ylprop-2-ynoxy)-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-dione Traditional Name: (1R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-9-[(2R,4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,6,8,10,14-hexamethyl-17-methylene-6-[3-(2-pyridyl)prop-2-ynoxy]-12,15-dioxabicyclo[12.3.0]heptadecane-3,11-quinone Formula: C48H74N2O12 MolecularWeight: 871.10736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)OCC#CC5=CC=CC=N5)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@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@](C([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)OCC#CC5=CC=CC=N5)C)C)C(=C)CO2)C

InChI

InChI=1S/C48H74N2O12/c1-15-36-48(11)38(28(3)26-57-48)30(5)39(51)27(2)24-47(10,56-22-18-20-34-19-16-17-21-49-34)43(62-45-40(52)35(50(12)13)23-29(4)58-45)31(6)41(32(7)44(54)60-36)61-37-25-46(9,55-14)42(53)33(8)59-37/h16-17,19,21,27,29-33,35-38,40-43,45,52-53H,3,15,22-26H2,1-2,4-14H3/t27?,29-,30?,31+,32-,33+,35+,36-,37+,38+,40-,41+,42?,43-,45+,46-,47-,48-/m1/s1