(1S,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-17-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-7-yl]propyl]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1S,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-17-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-7-yl]propyl]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1S,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[3-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1S,2R,4R,6R,7R,8R,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-17-[3-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1S,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-17-[3-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)propyl]-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1S,2R,4R,6R,7R,8R,10R,13R,14S)-17-[3-(2,6-diketo-1,3-dimethyl-4,5-dihydropurin-7-yl)propyl]-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C41H66N6O12 MolecularWeight: 834.99574

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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)OC)C)C)N(C(=O)O2)CCCN4C=NC5C4C(=O)N(C(=O)N5C)C)C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[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)N(C(=O)O2)CCCN4C=NC5C4C(=O)N(C(=O)N5C)C)C

InChI

InChI=1S/C41H66N6O12/c1-14-27-41(8)32(47(39(54)59-41)17-15-16-46-20-42-34-28(46)35(51)45(12)38(53)44(34)11)23(4)29(48)21(2)19-40(7,55-13)33(24(5)30(49)25(6)36(52)57-27)58-37-31(50)26(43(9)10)18-22(3)56-37/h20-28,31-34,37,50H,14-19H2,1-13H3/t21-,22-,23+,24+,25-,26+,27-,28?,31-,32+,33-,34?,37+,40-,41-/m1/s1