(1E,2S,3R,4S,5R,8R,9S,10S,11R,12R,17R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,17-hexamethyl-3,4-bis(oxidanyl)-6,13,15-trioxa-16-azabicyclo[10.4.2]octadec-1(16)-en-7-one

Systemtic Name: (1E,2S,3R,4S,5R,8R,9S,10S,11R,12R,17R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,17-hexamethyl-3,4-bis(oxidanyl)-6,13,15-trioxa-16-azabicyclo[10.4.2]octadec-1(16)-en-7-one Openeye Name: (1E,2S,3R,4S,5R,8R,9S,10S,11R,12R,17R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,17-hexamethyl-6,13,15-trioxa-16-azabicyclo[10.4.2]octadec-1(16)-en-7-one CAS Name: (1E,2S,3R,4S,5R,8R,9S,10S,11R,12R,17R)-11-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-5-ethyl-3,4-dihydroxy-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2,4,8,10,12,17-hexamethyl-6,13,15-trioxa-16-azabicyclo[10.4.2]octadec-1(16)-en-7-one IUPAC Name: (1E,2S,3R,4S,5R,8R,9S,10S,11R,12R,17R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,17-hexamethyl-6,13,15-trioxa-16-azabicyclo[10.4.2]octadec-1(16)-en-7-one Traditional Name: (1E,2S,3R,4S,5R,8R,9S,10S,11R,12R,17R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2,4,8,10,12,17-hexamethyl-6,13,15-trioxa-16-azabicyclo[10.4.2]octadec-1(16)-en-7-one Formula: C38H68N2O13 MolecularWeight: 760.95212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C2=NOCOC(CC2C)(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)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](/C/2=N/OCO[C@](C[C@H]2C)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([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)C)O)(C)O

InChI

InChI=1S/C38H68N2O13/c1-14-26-38(10,45)31(42)21(4)28-19(2)16-37(9,47-18-48-39-28)33(53-35-29(41)25(40(11)12)15-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-17-36(8,46-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45H,14-18H2,1-13H3/b39-28+/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1