(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-17-[(E)-3-quinolin-3-ylprop-2-enyl]-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-17-[(E)-3-quinolin-3-ylprop-2-enyl]-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-17-[(E)-3-(3-quinolyl)allyl]-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-17-[(E)-3-(3-quinolinyl)prop-2-enyl]-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-17-[(E)-3-quinolin-3-ylprop-2-enyl]-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-17-[(E)-3-(3-quinolyl)allyl]-4,11,15-trioxa-17-azabicyclo[8.5.5]eicos-13-ene-5,7-quinone Formula: C44H65N3O9 MolecularWeight: 780.0016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(N(CC(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC=CO2)C)C)CC=CC4=CC5=CC=CC=C5N=C4)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](N(C[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=C/C4=CC5=CC=CC=C5N=C4)C)(C)O

InChI

InChI=1S/C44H65N3O9/c1-11-36-44(8,51)40-31(6)47(19-14-16-32-23-33-17-12-13-18-34(33)45-25-32)26-27(2)24-43(7,53-21-15-20-52-40)39(29(4)37(48)30(5)41(50)55-36)56-42-38(49)35(46(9)10)22-28(3)54-42/h12-18,20,23,25,27-31,35-36,38-40,42,49,51H,11,19,21-22,24,26H2,1-10H3/b16-14+,20-15+/t27-,28-,29+,30?,31-,35+,36-,38-,39-,40+,42+,43-,44-/m1/s1