Chem
J-GLOBAL ID：200907016849875586   Nikkaji number：J419.687B

Avermectin B1a monosaccharide

アベルメクチンB1aモノサッカリド
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： C41H60O11
Molecular formula furigana： C41-H60-O11
Molecular weight： 728.920
InChI： InChI=1S/C41H60O11/c1-9-22(2)37-25(5)15-16-40(52-37)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(46-8)35(43)27(7)48-33)23(3)11-10-12-28-21-47-38-34(42)26(6)17-31(39(44)49-30)41(28,38)45/h10-13,15-17,22-23,25,27,29-38,42-43,45H,9,14,18-21H2,1-8H3/b11-10?,24-13?,28-12-/t22-,23-,25-,27-,29+,30-,31-,32-,33-,34+,35-,36-,37+,38+,40+,41+/m0/s1
InChI key： ZBVWYDMYMRLKIV-UGPRVBLZSA-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](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)：
  • 5-O-デメチル-4′-O-デス(3-O-メチル-2,6-ジデオキシ-α-L-arabino-ヘキソピラノシル)アベルメクチンA1a
  • 5-O-デメチル-4′-O-デ(2,6-ジデオキシ-3-O-メチル-α-L-グルコピラノシル)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-[(2S)-ブタン-2-イル]-21',24'-ジヒドロキシ-12'-{[(2R,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}-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-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-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 (6)：
  • 5-O-Demethyl-4′-O-de(2,6-dideoxy-3-O-methyl-α-L-glucopyranosyl)avermectin A1a
  • アベルメクチンB1aモノサッカリド
  • Avermectin B1a monosaccharide
  • エバーメクチンB1aモノサッカリド
  • 5-O-デメチル-4′-O-デス(3-O-メチル-2,6-ジデオキシ-α-L-arabino-ヘキソピラノシル)エバーメクチンA1a
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KEGG COMPOUND： C11981
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