milbemycin oxime

CAS: 129496-10-2

Formula: C63H88N2O14

SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4/CO[C@@H]5C(=N/O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@@H]1C.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3/CO[C@@H]4C(=N/O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2

IUPAC: (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',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-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',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1?,?.0²?,²?]pentacosane]-10',14',16',22'-tetraen-2'-one

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(16-2

Composition: C (68.95%), H (8.08%), N (2.55%), O (20.41%)

Molar Mass: 1097.397

Atom Count: 167

Heavy Atom Count: 79