(3R,4S,6R,7R,9R,10S,11S,12R,13S,14R)-14-(2-azidoethyl)-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,7,9,11,13-pentamethyl-6-[(2S,3R,4S,6R)-6-methyl-4-[methyl(propan-2-yl)amino]-3-oxidanyl-oxan-2-yl]oxy-7,10,12,13-tetrakis(oxidanyl)-1-oxacyclotetradecan-2-one

Systemtic Name: (3R,4S,6R,7R,9R,10S,11S,12R,13S,14R)-14-(2-azidoethyl)-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,7,9,11,13-pentamethyl-6-[(2S,3R,4S,6R)-6-methyl-4-[methyl(propan-2-yl)amino]-3-oxidanyl-oxan-2-yl]oxy-7,10,12,13-tetrakis(oxidanyl)-1-oxacyclotetradecan-2-one Openeye Name: (3R,4S,6R,7R,9R,10S,11S,12R,13S,14R)-14-(2-azidoethyl)-7,10,12,13-tetrahydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyl-tetrahydropyran-2-yl]oxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,7,9,11,13-pentamethyl-oxacyclotetradecan-2-one CAS Name: (3R,4S,6R,7R,9R,10S,11S,12R,13S,14R)-14-(2-azidoethyl)-7,10,12,13-tetrahydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-6-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]-2-oxanyl]oxy]-3,7,9,11,13-pentamethyl-oxacyclotetradecan-2-one IUPAC Name: (3R,4S,6R,7R,9R,10S,11S,12R,13S,14R)-14-(2-azidoethyl)-7,10,12,13-tetrahydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-3,7,9,11,13-pentamethyl-oxacyclotetradecan-2-one Traditional Name: (3R,4S,6R,7R,9R,10S,11S,12R,13S,14R)-14-(2-azidoethyl)-7,10,12,13-tetrahydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyl-tetrahydropyran-2-yl]oxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,7,9,11,13-pentamethyl-oxacyclotetradecan-2-one Formula: C38H70N4O13 MolecularWeight: 790.9814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2CC(C(C(=O)OC(C(C(C(C(C(CC2(C)O)C)O)C)O)(C)O)CCN=[N+]=[N-])C)OC3CC(C(C(O3)C)O)(C)OC)O)N(C)C(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2C[C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]([C@H]([C@@H](C[C@@]2(C)O)C)O)C)O)(C)O)CCN=[N+]=[N-])C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)O)N(C)C(C)C

InChI

InChI=1S/C38H70N4O13/c1-19(2)42(11)25-15-21(4)51-35(31(25)44)55-28-16-26(53-29-18-37(9,50-12)33(46)24(7)52-29)22(5)34(47)54-27(13-14-40-41-39)38(10,49)32(45)23(6)30(43)20(3)17-36(28,8)48/h19-33,35,43-46,48-49H,13-18H2,1-12H3/t20-,21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,35+,36-,37-,38-/m1/s1