Chem
J-GLOBAL ID：201007031552459346   Nikkaji number：J2.778.613H

Avermectin A2a monosaccharide

アベルメクチンA2aモノサッカライド
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： C42H64O12
Molecular formula furigana： C42-H64-O12
Molecular weight： 760.962
InChI： InChI=1S/C42H64O12/c1-10-22(2)37-26(6)32(43)20-41(54-37)19-30-17-29(53-41)15-14-24(4)36(52-34-18-33(47-8)35(44)27(7)50-34)23(3)12-11-13-28-21-49-39-38(48-9)25(5)16-31(40(45)51-30)42(28,39)46/h11-14,16,22-23,26-27,29-39,43-44,46H,10,15,17-21H2,1-9H3/b12-11+,24-14+,28-13+/t22?,23-,26-,27-,29+,30-,31-,32?,33-,34-,35-,36-,37+,38+,39+,41-,42+/m0/s1
InChI key： WYNHYWYYKJUGGV-OEIMCZBZSA-N
SMILES： CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=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](OC)C(=C[C@@H](C(=O)O3)[C@]45O)C)O2)CC(O)[C@@H]1C
Systematic name  (3)：
  • (1R,2R,4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-15-(3-O-メチル-2,6-ジデオキシ-α-L-arabino-ヘキソピラノシルオキシ)-4′,20a-ジヒドロキシ-1,2,3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-テトラデカヒドロ-6′-sec-ブチル-3,5′,14,16-テトラメチル-2-メトキシ-1,20-(エポキシメタノ)-7,11-メタノ-5H-6,10-ジオキサスピロ[ベンゾシクロオクタデセン-9(10H),2′-[2H]ピラン]-5-オン
  • (1'R,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-(ブタン-2-イル)-4,24'-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}-21'-メトキシ-5,11',13',22'-テトラメチル-3',7',19'-トリオキサスピロ[オキサン-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,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-(butan-2-yl)-4,24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-21'-methoxy-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.14,8.020,24]pentacosane]-10',14',16',22'-tetraen-2'-one
Other name (4)：
  • (1R,2R,4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-15-(3-O-Methyl-2,6-dideoxy-α-L-arabino-hexopyranosyloxy)-4′,20a-dihydroxy-1,2,3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-tetradecahydro-6′-sec-butyl-3,5′,14,16-tetramethyl-2-methoxy-1,20-(epoxymethano)-7,11-methano-5H-6,10-dioxaspiro[benzocyclooctadecene-9(10H),2′-[2H]pyran]-5-one
  • Avermectin A2a monosaccharide
  • アベルメクチンA2aモノサッカライド
  • エバーメクチンA2aモノサッカライド
KEGG COMPOUND： C11974
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