Chem
J-GLOBAL ID：201007080231601834   Nikkaji number：J2.778.583B

Avermectin B2b monosaccharide

アベルメクチンB2b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： C40H60O12
Molecular formula furigana： C40-H60-O12
Molecular weight： 732.908
InChI： InChI=1S/C40H60O12/c1-20(2)35-24(6)30(41)18-39(52-35)17-28-15-27(51-39)13-12-22(4)36(50-32-16-31(46-8)34(43)25(7)48-32)21(3)10-9-11-26-19-47-37-33(42)23(5)14-29(38(44)49-28)40(26,37)45/h9-12,14,20-21,24-25,27-37,41-43,45H,13,15-19H2,1-8H3/b10-9+,22-12+,26-11+/t21-,24-,25-,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37+,39-,40+/m0/s1
InChI key： YIPLIYLHPUXRMG-XUSSLDSFSA-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](O)C(=C[C@@H](C(=O)O[C@H]5C[C@@H](C/C=C/2\C)O[C@@]2(C[C@H](O)[C@H](C)[C@H](O2)C(C)C)C5)[C@]34O)C)O[C@@H](C)[C@@H]1O
Systematic name  (3)：
  • (1R,2R,4′S,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)-2,4′,20a-トリヒドロキシ-1,2,3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-テトラデカヒドロ-6′-イソプロピル-3,5′,14,16-テトラメチル-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,4S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-4,21',24'-トリヒドロキシ-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-6-(プロパン-2-イル)-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,4S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-4,21',24'-trihydroxy-12'-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-6-(propan-2-yl)-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,4′S,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)-2,4′,20a-trihydroxy-1,2,3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-tetradecahydro-6′-isopropyl-3,5′,14,16-tetramethyl-1,20-(epoxymethano)-7,11-methano-5H-6,10-dioxaspiro[benzocyclooctadecene-9(10H),2′-[2H]pyran]-5-one
  • Avermectin B2b monosaccharide
  • アベルメクチンB2bモノサッカライド
  • エバーメクチンB2bモノサッカライド
KEGG COMPOUND： C11957
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