Chem
J-GLOBAL ID：200907089352630455   Nikkaji number：J632.493B

Eprinomectin

エプリノメクチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C50H75NO14
Molecular formula furigana： C50-H75-N-O14
Molecular weight： 914.143
InChI： InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13?,28-16?,34-15-/t26-,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44-,45+,46-,47+,49+,50+/m0/s1
InChI key： ZKWQQXZUCOBISE-JQEVFZNNSA-N
SMILES： CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC(=O)C)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=C/C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)C=C[C@@H]1C
Systematic name  (4)：
  • 4′′-C-(アセチルアミノ)-4′′-デオキシ-5-O-デメチルアベルメクチンA1a
  • 4′′-アセチルアミノ-4′′-デオキシ-5-O-デメチルアベルメクチンA1a
  • N-[(2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-6-[(2S)-ブタン-2-イル]-21',24'-ジヒドロキシ-5,11',13',22'-テトラメチル-5,6-ジヒドロ-3',7',19'-トリオキサスピロ[ピラン-2,6'-テトラシクロ[15.6.1.14,8.020,24]ペンタコサン]-10',14',16',22'-テトラエン-2'-オネオキシ]-4-メトキシ-2-メチルオキサン-3-イル]オキシ}-4-メトキシ-2-メチルオキサン-3-イル]アセトアミド
  • N-[(2S,3S,4S,6S)-6-{[(2S,3S,4S,6R)-6-[(1'R,2S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-oneoxy]-4-methoxy-2-methyloxan-3-yl]oxy}-4-methoxy-2-methyloxan-3-yl]acetamide
Other name (10)：
  • MK-397
  • 4′′-Acetylamino-4′′-deoxy-5-O-demethylavermectin A1a
  • エプリノメクチンB1a
  • Eprinomectin B1a
  • エプリノメクチン
Show all
CAS registry number： 123997-26-2
KEGG DRUG： D04037
Application (1)：
anthelmintic
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