(1S,2R,3R,8R,9R,10R,13E,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,19-hexamethyl-2-oxidanyl-4,11,15-trioxa-17-azabicyclo[8.5.5]icos-13-ene-5,7-dione

Systemtic Name: (1S,2R,3R,8R,9R,10R,13E,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-2,6,8,10,16,19-hexamethyl-2-oxidanyl-4,11,15-trioxa-17-azabicyclo[8.5.5]icos-13-ene-5,7-dione Openeye Name: (1S,2R,3R,8R,9R,10R,13E,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]icos-13-ene-5,7-dione CAS Name: (1S,2R,3R,8R,9R,10R,13E,16R,19R)-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]eicos-13-ene-5,7-dione IUPAC Name: (1S,2R,3R,8R,9R,10R,13E,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]icos-13-ene-5,7-dione Traditional Name: (1S,2R,3R,8R,9R,10R,13E,16R,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,19-hexamethyl-4,11,15-trioxa-17-azabicyclo[8.5.5]eicos-13-ene-5,7-quinone Formula: C32H56N2O9 MolecularWeight: 612.79504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(NCC(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC=CO2)C)C)C)(C)O

Isomeric SMILES

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

InChI

InChI=1S/C32H56N2O9/c1-11-24-32(8,38)28-22(6)33-17-18(2)16-31(7,40-14-12-13-39-28)27(20(4)25(35)21(5)29(37)42-24)43-30-26(36)23(34(9)10)15-19(3)41-30/h12-13,18-24,26-28,30,33,36,38H,11,14-17H2,1-10H3/b13-12+/t18-,19-,20+,21?,22-,23+,24-,26-,27-,28+,30+,31-,32-/m1/s1