Chem
J-GLOBAL ID：201007004733864687   Nikkaji number：J2.778.608A

6,8a-Seco-6,8a-deoxy-5-oxoavermectin′′2a′′aglycone

6,8a-セコ-6,8a-デオキシ-5-オキソアベルメクチン′′2a′′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： C34H50O8
Molecular formula furigana： C34-H50-O8
Molecular weight： 586.766
InChI： InChI=1S/C34H50O8/c1-8-19(2)31-24(7)29(36)17-33(42-31)16-26-15-25(41-33)13-12-21(4)30(37)20(3)10-9-11-23(6)34(39)18-28(35)22(5)14-27(34)32(38)40-26/h9-12,14,19-20,24-27,29-31,36-37,39H,8,13,15-18H2,1-7H3/b10-9+,21-12+,23-11+/t19?,20-,24-,25+,26-,27-,29-,30-,31+,33-,34+/m0/s1
InChI key： QCSFFKFCYQTXGW-ZGLBEODDSA-N
SMILES： CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](O)[C@@H](C)/C=C/C=C(\C)/[C@]4(O)CC(=O)C(=C[C@H]4C(=O)O3)C)O2)C[C@H](O)[C@@H]1C
Systematic name  (3)：
  • (4′S,4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-4′,15,20a-トリヒドロキシ-3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-ドデカヒドロ-6′-sec-ブチル-3,5′,14,16,20-ペンタメチル-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]-2,5(1H)-ジオン
  • (1'S,2R,4S,4'R,5S,6R,9'S,10'E,12'E,14'S,15'S,16'E,19'R)-6-(ブタン-2-イル)-4,9',15'-トリヒドロキシ-5,6',10',14',16'-ペンタメチル-2',20'-ジオキサスピロ[オキサン-2,21'-トリシクロ[17.3.1.04,9]トリコサン]-5',10',12',16'-テトラエン-3',7'-ジオン
  • (1'S,2R,4S,4'R,5S,6R,9'S,10'E,12'E,14'S,15'S,16'E,19'R)-6-(butan-2-yl)-4,9',15'-trihydroxy-5,6',10',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.04,9]tricosane]-5',10',12',16'-tetraene-3',7'-dione
Other name (4)：
  • (4′S,4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-4′,15,20a-Trihydroxy-3′,4′,4a,5′,6′,7,8,11,12,15,16,20a-dodecahydro-6′-sec-butyl-3,5′,14,16,20-pentamethyl-7,11-methano-5H-6,10-dioxaspiro[benzocyclooctadecene-9(10H),2′-[2H]pyran]-2,5(1H)-dione
  • 6,8a-Seco-6,8a-deoxy-5-oxoavermectin′′2a′′aglycone
  • 6,8a-セコ-6,8a-デオキシ-5-オキソアベルメクチン′′2a′′アグリコン
  • 6,8a-セコ-6,8a-デオキシ-5-オキソエバーメクチン′′2a′′アグリコン
KEGG COMPOUND： C11969
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