(3S,5R,6R,7R,9R,11R,12R,13S,14R)-14-(3-azidopropyl)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-fluoranyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-1-oxacyclotetradecane-2,4,10-trione

Systemtic Name: (3S,5R,6R,7R,9R,11R,12R,13S,14R)-14-(3-azidopropyl)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-fluoranyl-7-methoxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-1-oxacyclotetradecane-2,4,10-trione Openeye Name: (3S,5R,6R,7R,9R,11R,12R,13S,14R)-14-(3-azidopropyl)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione CAS Name: (3S,5R,6R,7R,9R,11R,12R,13S,14R)-14-(3-azidopropyl)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione IUPAC Name: (3S,5R,6R,7R,9R,11R,12R,13S,14R)-14-(3-azidopropyl)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione Traditional Name: (3S,5R,6R,7R,9R,11R,12R,13S,14R)-14-(3-azidopropyl)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-fluoro-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4,10-trione Formula: C31H53FN4O10 MolecularWeight: 660.771723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(=O)C(C(=O)OC(C(C(C(C(=O)C(CC2(C)OC)C)C)O)(C)O)CCCN=[N+]=[N-])(C)F)C)O)N(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)[C@](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)O)(C)O)CCCN=[N+]=[N-])(C)F)C)O)N(C)C

InChI

InChI=1S/C31H53FN4O10/c1-16-15-29(5,43-10)26(46-27-23(38)20(36(8)9)14-17(2)44-27)19(4)24(39)30(6,32)28(41)45-21(12-11-13-34-35-33)31(7,42)25(40)18(3)22(16)37/h16-21,23,25-27,38,40,42H,11-15H2,1-10H3/t16-,17-,18+,19+,20+,21-,23-,25-,26-,27+,29-,30+,31-/m1/s1