(3R,5R,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-10-[(4-nitrophenyl)methoxyimino]-12,13-bis(oxidanyl)-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-1-oxacyclotetradecane-2,4-dione

Systemtic Name: (3R,5R,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-3,5,7,9,11,13-hexamethyl-10-[(4-nitrophenyl)methoxyimino]-12,13-bis(oxidanyl)-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-1-oxacyclotetradecane-2,4-dione Openeye Name: (3R,5R,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-10-[(4-nitrophenyl)methoxyimino]-7-[(E)-3-(3-quinolyl)allyloxy]-oxacyclotetradecane-2,4-dione CAS Name: (3R,5R,6R,7S,9R,10E,11R,12R,13S,14S)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-10-[(4-nitrophenyl)methoxyimino]-7-[(E)-3-(3-quinolinyl)prop-2-enoxy]-oxacyclotetradecane-2,4-dione IUPAC Name: (3R,5R,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-10-[(4-nitrophenyl)methoxyimino]-7-[(E)-3-quinolin-3-ylprop-2-enoxy]-oxacyclotetradecane-2,4-dione Traditional Name: (3R,5R,6R,7S,9R,10E,11R,12R,13S,14S)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-10-(4-nitrobenzyl)oximino-7-[(E)-3-(3-quinolyl)allyloxy]-oxacyclotetradecane-2,4-quinone Formula: C48H66N4O12 MolecularWeight: 891.05724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CC5=CC=CC=C5N=C4)C)C)O)(C)O

Isomeric SMILES

CC[C@H]1[C@@]([C@@H]([C@@H](/C(=N/OCC2=CC=C(C=C2)[N+](=O)[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/C4=CC5=CC=CC=C5N=C4)C)C)O)(C)O

InChI

InChI=1S/C48H66N4O12/c1-11-39-48(8,57)43(55)30(4)40(50-61-27-33-18-20-36(21-19-33)52(58)59)28(2)25-47(7,60-22-14-15-34-24-35-16-12-13-17-37(35)49-26-34)44(31(5)41(53)32(6)45(56)63-39)64-46-42(54)38(51(9)10)23-29(3)62-46/h12-21,24,26,28-32,38-39,42-44,46,54-55,57H,11,22-23,25,27H2,1-10H3/b15-14+,50-40+/t28-,29-,30-,31+,32-,38+,39+,42-,43-,44-,46+,47+,48-/m1/s1