Chem
J-GLOBAL ID：200907049618786756   Nikkaji number：J561.838J

Doramectin

ドラメクチン
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： C50H74O14
Molecular formula furigana： C50-H74-O14
Molecular weight： 899.128
InChI： InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12?,28-17?,34-16-/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1
InChI key： QLFZZSKTJWDQOS-MNAKCTADSA-N
SMILES： CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)C=C/C=C\3/CO[C@@H]4[C@H](O)C(=C[C@@H](C(=O)O[C@H]5C[C@@H](CC=C2C)O[C@@]2(C5)O[C@H](C5CCCCC5)[C@@H](C)C=C2)[C@]34O)C)O[C@@H](C)[C@@H]1O
Systematic name  (5)：
  • 25-シクロヘキシル-5-O-デメチル-25-デ(1-メチルプロピル)アベルメクチンA1a
  • 5-O-デメチル-25-デ(1-メチルプロピル)-25-シクロヘキシルアベルメクチンA1a
  • 5-デメトキシ-5-ヒドロキシ-25-デ(1-メチルプロピル)-25-シクロヘキシルアベルメクチンA1a
  • (1'R,2S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-6-シクロヘキシル-21',24'-ジヒドロキシ-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-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'-オン
  • (1'R,2S,4'S,5S,6R,8'R,12'S,13'S,16'Z,20'R,21'R,24'S)-6-cyclohexyl-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-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'-one
Other name (9)：
  • ドラメクチン
  • Doramectin
  • UK-67994
  • 25-Cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)avermectin A1a
  • 5-O-Demethyl-25-de(1-methylpropyl)-25-cyclohexylavermectin A1a
Show all
CAS registry number： 117704-25-3
Regulation number (1)：
  • 8-(4)-1133
KEGG DRUG： D01129
Application (1)：
acaricide
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