(2R,3S,5S,6S,7E,8R,10R,11R,12S,13S,14R)-7-(1,3-benzodithiol-2-yloxyimino)-11-[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxy-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-oxan-2-yl]oxy-3,6,8,10,12,14-hexamethyl-3,5,10-tris(oxidanyl)cyclotetradecan-1-one

Systemtic Name: (2R,3S,5S,6S,7E,8R,10R,11R,12S,13S,14R)-7-(1,3-benzodithiol-2-yloxyimino)-11-[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxy-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-oxan-2-yl]oxy-3,6,8,10,12,14-hexamethyl-3,5,10-tris(oxidanyl)cyclotetradecan-1-one Openeye Name: (2R,3S,5S,6S,7E,8R,10R,11R,12S,13S,14R)-7-(1,3-benzodithiol-2-yloxyimino)-11-[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-2-ethyl-3,5,10-trihydroxy-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-3,6,8,10,12,14-hexamethyl-cyclotetradecanone CAS Name: (2R,3S,5S,6S,7E,8R,10R,11R,12S,13S,14R)-7-(1,3-benzodithiol-2-yloxyimino)-11-[[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxy-2-oxanyl]oxy]-2-ethyl-3,5,10-trihydroxy-13-[[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-2-oxanyl]oxy]-3,6,8,10,12,14-hexamethyl-1-cyclotetradecanone IUPAC Name: (2R,3S,5S,6S,7E,8R,10R,11R,12S,13S,14R)-7-(1,3-benzodithiol-2-yloxyimino)-11-[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-2-ethyl-3,5,10-trihydroxy-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxyoxan-2-yl]oxy-3,6,8,10,12,14-hexamethylcyclotetradecan-1-one Traditional Name: (2R,3S,5S,6S,7E,8R,10R,11R,12S,13S,14R)-7-(1,3-benzodithiol-2-yloximino)-11-[(2R,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-2-ethyl-3,5,10-trihydroxy-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxy-tetrahydropyran-2-yl]oxy-3,6,8,10,12,14-hexamethyl-cyclotetradecanone Formula: C51H90N2O12S2Si2 MolecularWeight: 1043.5675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)C(C(C(C(C(CC(C(=NOC2SC3=CC=CC=C3S2)C(C(CC1(C)O)O)C)C)(C)O)OC4C(C(CC(O4)C)N(C)C)O[Si](C)(C)C)C)OC5CC(C(C(O5)C)O[Si](C)(C)C)(C)OC)C

Isomeric SMILES

CC[C@H]1C(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H](/C(=N\OC2SC3=CC=CC=C3S2)/[C@@H]([C@H](C[C@]1(C)O)O)C)C)(C)O)O[C@@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O[Si](C)(C)C)C)O[C@H]5C[C@@]([C@H]([C@@H](O5)C)O[Si](C)(C)C)(C)OC)C

InChI

InChI=1S/C51H90N2O12S2Si2/c1-20-35-42(55)32(5)43(61-40-28-51(10,58-13)46(34(7)60-40)65-69(17,18)19)33(6)45(62-47-44(64-68(14,15)16)36(53(11)12)25-30(3)59-47)50(9,57)26-29(2)41(31(4)37(54)27-49(35,8)56)52-63-48-66-38-23-21-22-24-39(38)67-48/h21-24,29-37,40,43-48,54,56-57H,20,25-28H2,1-19H3/b52-41+/t29-,30-,31-,32+,33+,34+,35+,36+,37+,40+,43-,44-,45-,46+,47-,49+,50-,51-/m1/s1