Chem
J-GLOBAL ID：201007071978893223   Nikkaji number：J2.778.614F

6,8a-Seco-6,8a-deoxy-5-oxoavermectin′′1a′′aglycone

6,8a-セコ-6,8a-デオキシ-5-オキソアベルメクチン′′1a′′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： C34H48O7
Molecular formula furigana： C34-H48-O7
Molecular weight： 568.751
InChI： InChI=1S/C34H48O7/c1-8-20(2)31-23(5)14-15-33(41-31)18-27-17-26(40-33)13-12-22(4)30(36)21(3)10-9-11-25(7)34(38)19-29(35)24(6)16-28(34)32(37)39-27/h9-12,14-16,20-21,23,26-28,30-31,36,38H,8,13,17-19H2,1-7H3/b10-9+,22-12+,25-11+/t20?,21-,23-,26+,27-,28-,30-,31+,33-,34+/m0/s1
InChI key： WMIUFIWIPJRLMD-WCEZNHMRSA-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[C@@H]1C
Systematic name  (3)：
  • (4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-15,20a-ジヒドロキシ-4a,5′,6′,7,8,11,12,15,16,20a-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,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)-9',15'-ジヒドロキシ-5,6',10',14',16'-ペンタメチル-5,6-ジヒドロ-2',20'-ジオキサスピロ[ピラン-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,4'R,5S,6R,9'S,10'E,12'E,14'S,15'S,16'E,19'R)-6-(butan-2-yl)-9',15'-dihydroxy-5,6',10',14',16'-pentamethyl-5,6-dihydro-2',20'-dioxaspiro[pyran-2,21'-tricyclo[17.3.1.04,9]tricosane]-5',10',12',16'-tetraene-3',7'-dione
Other name (4)：
  • (4aR,5′S,6′R,7S,9R,11R,13E,15S,16S,17E,19E,20aS)-15,20a-Dihydroxy-4a,5′,6′,7,8,11,12,15,16,20a-decahydro-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′′1a′′aglycone
  • 6,8a-セコ-6,8a-デオキシ-5-オキソアベルメクチン′′1a′′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′′1a′′アグリコン
KEGG COMPOUND： C11977
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