Milbemycin oxime

More details:

• Systematic name

  (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-24'-Hydroxy-21'-(hydroxyimino)-5,6,11',13',22'-pentamethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20 ,24~]pentacosa[10,14,16,22]tetraen]-2'-one - (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-6-ethyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyr an-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one (1:1)

• SMILES

  CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)\C)C.C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)\C)O[C@@H]1C

• Std. InChi

  InChI=1S/C32H45NO7.C31H43NO7/c1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35;1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3;6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3/b8-7+,20-10+,23-9+,33-28-;7-6+,19-9+,23-8+,32-27-/t19-,21-,24+,25-,26-,27+,29+,31+,32+;18-,20-,22+,24+,25-,26-,28+,30-,31+/m00/s1

• Std. InChIKey

  CKVMAPHTVCTEMM-ALPQRHTBSA-N

• Cite this record

  CSID:16738646, http://www.chemspider.com/Chemical-Structure.16738646.html (accessed 14:27, Jul 5, 2024)