Milbemycin Oxime (Mixture of Milbemycin Oxime A3 and Milbemycin Oxime A4, 80:20)

化合物标识与属性

CAS

129496-10-2

PubChem CID

131675034

SMILES

CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)CC=C(C[C@H](C=CC=C4CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)C)C.CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)CC=C(C[C@H](C=CC=C4CO[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)CC=C(C[C@H](C=CC=C4CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)C)O[C@@H]1C.C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)CC=C(C[C@H](C=CC=C4CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N\O)C)C(=O)O3)O)C)C)O[C@@H]1C

Canonical SMILES

CC1=CC[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)[C@@H]2C=C(C)/C(=N/O)[C@H]3OCC(=CC=C[C@H](C)C1)[C@]32O.CC1=CC[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H](C)O3)O2)OC(=O)[C@@H]2C=C(C)/C(=N\O)[C@H]3OCC(=CC=C[C@H](C)C1)[C@]32O.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=C3CO[C@@H]4/C(=N/O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.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=C3CO[C@@H]4/C(=N\O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2