Chem
J-GLOBAL ID：201007070703962210   Nikkaji number：J2.778.605G

Avermectin A1b aglycone

アベルメクチンA1bアグリコン
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： C34H48O9
Molecular formula furigana： C34-H48-O9
Molecular weight： 600.749
InChI： InChI=1S/C34H48O9/c1-18(2)29-22(6)27(35)16-33(43-29)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-30(39-7)21(5)13-26(32(37)41-25)34(23,31)38/h8-11,13,16,18-19,22,24-26,28-31,35-36,38H,12,14-15,17H2,1-7H3/b9-8+,20-11+,23-10+/t19-,22+,24+,25-,26-,28-,29+,30+,31+,33+,34+/m0/s1
InChI key： UULULZTZSOAWMZ-CPQCYRCUSA-N
SMILES： CO[C@H]1[C@H]2OC/C/3=C\C=C\[C@H](C)[C@H](O)/C(=C/C[C@@H]4C[C@@H](C[C@@]5(O4)O[C@H](C(C)C)[C@H](C)C(=C5)O)OC(=O)[C@H](C=C1C)[C@@]23O)/C
Systematic name  (3)：
  • (1R,2R,4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-4′,15,20a-トリヒドロキシ-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)-4,12',24'-トリヒドロキシ-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)-4,12',24'-trihydroxy-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)-4′,15,20a-Trihydroxy-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 aglycone
  • アベルメクチンA1bアグリコン
  • エバーメクチンA1bアグリコン
KEGG COMPOUND： C11964
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