(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-10-methoxyimino-3,5,7,9,11,13-hexamethyl-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-10-methoxyimino-3,5,7,9,11,13-hexamethyl-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-10-methoxyimino-3,5,7,9,11,13-hexamethyl-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-10-methoxyimino-3,5,7,9,11,13-hexamethyl-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-10-methoxyimino-3,5,7,9,11,13-hexamethyl-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-methyloximino-7-[(E)-3-(3-quinolyl)allyloxy]-oxacyclotetradecane-2,4-quinone Formula: C42H63N3O10 MolecularWeight: 769.96372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(C(=NOC)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N(C)C)O)(C)OCC=CC3=CC4=CC=CC=C4N=C3)C)C)O)(C)O

Isomeric SMILES

CC[C@H]1[C@@]([C@@H]([C@@H](/C(=N/OC)/[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC/C=C/C3=CC4=CC=CC=C4N=C3)C)C)O)(C)O

InChI

InChI=1S/C42H63N3O10/c1-12-33-42(8,50)37(48)26(4)34(44-51-11)24(2)22-41(7,52-19-15-16-29-21-30-17-13-14-18-31(30)43-23-29)38(27(5)35(46)28(6)39(49)54-33)55-40-36(47)32(45(9)10)20-25(3)53-40/h13-18,21,23-28,32-33,36-38,40,47-48,50H,12,19-20,22H2,1-11H3/b16-15+,44-34+/t24-,25-,26-,27+,28-,32+,33+,36-,37-,38-,40+,41+,42-/m1/s1