Chem
J-GLOBAL ID：200907072486873486   Nikkaji number：J20.441B

Samaderin E

サマデリンE
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： C20H26O8
Molecular formula furigana： C20-H26-O8
Molecular weight： 394.420
InChI： InChI=1S/C20H26O8/c1-8-4-10(21)15(24)17(2)9(8)5-11-19-7-27-18(3,16(25)13(23)14(17)19)20(19,26)6-12(22)28-11/h4,9,11,13-16,23-26H,5-7H2,1-3H3/t9-,11+,13+,14+,15+,16-,17-,18+,19+,20+/m0/s1
InChI key： MGGPOESVKAWHRB-KZOVRTNRSA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
Systematic name  (3)：
  • 13,20-エポキシ-1β,11β,12α,14-テトラヒドロキシピクラサ-3-エン-2,16-ジオン
  • (1R,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-テトラヒドロキシ-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,2S,6R,8S,12S,13S,14R,15R,16S,17R)-2,12,15,16-tetrahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Other name (4)：
  • サマデリンE
  • Samaderin E
  • Samaderine E
  • 13,20-Epoxy-1β,11β,12α,14-tetrahydroxypicras-3-ene-2,16-dione
CAS registry number： 64356-67-8
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