Chem
J-GLOBAL ID：200907004088891398   Nikkaji number：J782.496C

Samaderine X

サマデリン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： C22H28O9
Molecular formula furigana： C22-H28-O9
Molecular weight： 436.457
InChI： InChI=1S/C22H28O9/c1-8-5-11(24)17(26)20(3)10(8)6-12-22-7-29-21(4,18(27)13(25)15(20)22)16(22)14(19(28)31-12)30-9(2)23/h5,10,12-18,25-27H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16-,17+,18-,20-,21-,22+/m0/s1
InChI key： PLUUPKMBPOFNDA-JEFQDFFJSA-N
SMILES： CC(=O)O[C@@H]1[C@H]2[C@]3(C)OC[C@@]42[C@@H](C[C@H]2C(=CC(=O)[C@@H](O)[C@]2(C)[C@H]4[C@@H](O)[C@@H]3O)C)OC1=O
Systematic name  (3)：
  • 1β,11β,12α-トリヒドロキシ-15β-アセトキシ-13,20-エポキシピクラサ-3-エン-2,16-ジオン
  • (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-トリヒドロキシ-9,13,17-トリメチル-4,11-ジオキソ-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-3-イル アセタート
  • (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13,17-trimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-3-yl acetate
Other name (3)：
  • サマデリンX
  • Samaderine X
  • 1β,11β,12α-Trihydroxy-15β-acetoxy-13,20-epoxypicras-3-ene-2,16-dione
Thsaurus map：
Thesaurus Map

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