Chem
J-GLOBAL ID：200907006024201676   Nikkaji number：J782.498J

Indaquassin X

インダクアッシンX
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： C20H26O10
Molecular formula furigana： C20-H26-O10
Molecular weight： 426.418
InChI： InChI=1S/C20H26O10/c1-6-4-7(21)12(24)17(2)8(6)9(22)15-19-5-29-18(3,13(25)10(23)11(17)19)20(19,28)14(26)16(27)30-15/h4,8-15,22-26,28H,5H2,1-3H3/t8-,9-,10-,11-,12-,13+,14+,15-,17+,18-,19+,20-/m1/s1
InChI key： FNBCSEXPMDCZFO-DJEAXRBXSA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
Systematic name  (3)：
  • 1β,6α,11β,12α,14,15β-ヘキサヒドロキシ-13,20-エポキシピクラサ-3-エン-2,16-ジオン
  • (1R,2R,3R,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,3,7,12,15,16-ヘキサヒドロキシ-9,13,17-トリメチル-5,18-ジオキサペンタシクロ[12.5.0.01,6.02,17.08,13]ノナデカ-9-エン-4,11-ジオン
  • (1R,2R,3R,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,3,7,12,15,16-hexahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Other name (3)：
  • インダクアッシンX
  • Indaquassin X
  • 1β,6α,11β,12α,14,15β-Hexahydroxy-13,20-epoxypicras-3-ene-2,16-dione
Thsaurus map：
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