Chem
J-GLOBAL ID：200907078592949686   Nikkaji number：J407.112C

Pasakbumin D

パサクブミンD
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： C20H26O11
Molecular formula furigana： C20-H26-O11
Molecular weight： 442.417
InChI： InChI=1S/C20H26O11/c1-7-3-9(22)11(23)16(2)8(7)4-10-17-6-30-19(28,14(16)17)15(26)18(27,5-21)20(17,29)12(24)13(25)31-10/h3,8,10-12,14-15,21,23-24,26-29H,4-6H2,1-2H3/t8-,10+,11+,12-,14+,15+,16+,17+,18+,19+,20-/m0/s1
InChI key： RAEMEFYCJKMHGJ-NURDAXFGSA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@]53[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]5(O)[C@@](O)(CO)[C@H]4O
Systematic name  (4)：
  • 11β,20-エポキシ-1β,11,12α,13,14β,15β,21-ヘプタヒドロキシピクラサ-3-エン-2,16-ジオン
  • 11β,20-エポキシ-1β,11,12α,13β,14β,15β,21-ヘプタヒドロキシピクラサ-3-エン-2,16-ジオン
  • (1R,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,6,7,8,17-ヘキサヒドロキシ-6-(ヒドロキシメチル)-14,18-ジメチル-3,10-ジオキサペンタシクロ[9.8.0.01,7.04,19.013,18]ノナデカ-14-エン-9,16-ジオン
  • (1R,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,6,7,8,17-hexahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Other name (5)：
  • パサクブミンD
  • Pasakbumin D
  • 11β,20-Epoxy-1β,11,12α,13,14β,15β,21-heptahydroxypicras-3-ene-2,16-dione
  • 11β,20-Epoxy-1β,11,12α,13β,14β,15β,21-heptahydroxypicrasa-3-ene-2,16-dione
  • 13β,21-ジヒドロキシオイリコマノン
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