Chem
J-GLOBAL ID：201007045949085052   Nikkaji number：J2.778.607C

Avermectin A1b monosaccharide

アベルメクチンA1b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： C41H60O11
Molecular formula furigana： C41-H60-O11
Molecular weight： 728.920
InChI： InChI=1S/C41H60O11/c1-22(2)35-25(5)15-16-40(52-35)20-30-18-29(51-40)14-13-24(4)36(50-33-19-32(45-8)34(42)27(7)48-33)23(3)11-10-12-28-21-47-38-37(46-9)26(6)17-31(39(43)49-30)41(28,38)44/h10-13,15-17,22-23,25,27,29-38,42,44H,14,18-21H2,1-9H3/b11-10+,24-13+,28-12+/t23-,25-,27-,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,40-,41+/m0/s1
InChI key： MNFOHFDPWDCPHJ-UZCWRFCBSA-N
SMILES： CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@@H]4[C@H](OC)C(=C[C@@H](C(=O)O[C@H]5C[C@@H](C/C=C/2\C)O[C@]2(C5)O[C@H](C(C)C)[C@@H](C)C=C2)[C@]34O)C)O[C@@H](C)[C@@H]1O
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)-20a-ヒドロキシ-1,2,4a,5′,6′,7,8,11,12,15,16,20a-ドデカヒドロ-6′-イソプロピル-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)-24'-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-6-(プロパン-2-イル)-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,2R,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-24'-hydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-21'-methoxy-5,11',13',22'-tetramethyl-6-(propan-2-yl)-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 (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)-20a-hydroxy-1,2,4a,5′,6′,7,8,11,12,15,16,20a-dodecahydro-6′-isopropyl-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 A1b monosaccharide
  • アベルメクチンA1bモノサッカライド
  • エバーメクチンA1bモノサッカライド
KEGG COMPOUND： C11966
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