(1S,2R,3S,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-ethynyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3-oxidanyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione

Systemtic Name: (1S,2R,3S,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-ethynyl-6-methoxy-2,4,6,8,10,14-hexamethyl-3-oxidanyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Openeye Name: (1S,2R,3S,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-ethynyl-3-hydroxy-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione CAS Name: (1S,2R,3S,4R,6R,7R,8R,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-3-ethynyl-3-hydroxy-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione IUPAC Name: (1S,2R,3S,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-3-ethynyl-3-hydroxy-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Traditional Name: (1S,2R,3S,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-ethynyl-3-hydroxy-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Formula: C33H54N2O10 MolecularWeight: 638.78926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)(C#C)O)C)NC(=O)O2)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@H]([C@H]([C@@]([C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)(C#C)O)C)NC(=O)O2)C

InChI

InChI=1S/C33H54N2O10/c1-13-23-32(9)26(34-30(39)45-32)21(7)33(40,14-2)17(3)16-31(8,41-12)27(19(5)24(36)20(6)28(38)43-23)44-29-25(37)22(35(10)11)15-18(4)42-29/h2,17-23,25-27,29,37,40H,13,15-16H2,1,3-12H3,(H,34,39)/t17-,18-,19+,20-,21-,22+,23-,25-,26+,27-,29+,31-,32-,33+/m1/s1