(1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-2,5,7,9,11,15-hexamethyl-10-oxidanyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecane-4,12,17-trione

Systemtic Name: (1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-7-methoxy-2,5,7,9,11,15-hexamethyl-10-oxidanyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecane-4,12,17-trione Openeye Name: (1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-10-hydroxy-7-methoxy-2,5,7,9,11,15-hexamethyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecane-4,12,17-trione CAS Name: (1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-10-hydroxy-7-methoxy-2,5,7,9,11,15-hexamethyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecane-4,12,17-trione IUPAC Name: (1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10-hydroxy-7-methoxy-2,5,7,9,11,15-hexamethyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecane-4,12,17-trione Traditional Name: (1R,2R,5R,7R,8R,9S,10S,11R,14R,15R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-10-hydroxy-7-methoxy-2,5,7,9,11,15-hexamethyl-13,16,18-trioxa-3-azabicyclo[13.3.0]octadecane-4,12,17-trione Formula: C31H54N2O11 MolecularWeight: 630.76726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H54N2O11/c1-12-21-31(8)25(43-29(38)44-31)19(6)32-26(36)15(2)14-30(7,39-11)24(17(4)22(34)18(5)27(37)41-21)42-28-23(35)20(33(9)10)13-16(3)40-28/h15-25,28,34-35H,12-14H2,1-11H3,(H,32,36)/t15-,16-,17+,18-,19-,20+,21-,22+,23-,24-,25-,28+,30-,31-/m1/s1