[(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-(phenylcarbonyl)carbamate

Systemtic Name: [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-tris(oxidanylidene)-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-(phenylcarbonyl)carbamate Openeye Name: [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-benzoylcarbamate CAS Name: N-benzoylcarbamic acid [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] ester IUPAC Name: [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-3-hydroxyimino-2,4,6,8,10,14-hexamethyl-9,11,16-trioxo-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] N-benzoylcarbamate Traditional Name: N-benzoylcarbamic acid [(1R,2R,3E,4R,6S,7R,8R,10R,13S,14R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-3-hydroximino-9,11,16-triketo-2,4,6,8,10,14-hexamethyl-12,15,17-trioxabicyclo[12.3.0]heptadecan-6-yl] ester Formula: C38H55N3O13 MolecularWeight: 761.8556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=NO)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC(=O)NC(=O)C4=CC=CC=C4)C)C)OC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](/C(=N/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(=O)NC(=O)C4=CC=CC=C4)C)C)OC(=O)O2)C

InChI

InChI=1S/C38H55N3O13/c1-11-26-38(8)31(52-36(47)54-38)21(4)27(40-48)19(2)18-37(7,53-35(46)39-32(44)24-15-13-12-14-16-24)30(22(5)28(42)23(6)33(45)50-26)51-34-29(43)25(41(9)10)17-20(3)49-34/h12-16,19-23,25-26,29-31,34,43,48H,11,17-18H2,1-10H3,(H,39,44,46)/b40-27+/t19-,20-,21-,22+,23-,25+,26+,29-,30-,31-,34+,37+,38-/m1/s1