Chem
J-GLOBAL ID：201207068698451628   Nikkaji number：J3.029.162J

Ixerin D

イキセリン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： C21H30O9
Molecular formula furigana： C21-H30-O9
Molecular weight： 426.462
InChI： InChI=1S/C21H30O9/c1-8-10-4-5-21(3,27)11-6-12(9(2)14(11)18(10)30-19(8)26)28-20-17(25)16(24)15(23)13(7-22)29-20/h10-18,20,22-25,27H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15+,16-,17+,18+,20+,21+/m0/s1
InChI key： FTIDKIAZUNXNCJ-GKGLAHABSA-N
SMILES： C[C@@]1(O)CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@H]2[C@@H]1C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=C
Systematic name  (3)：
  • (3aS)-6-メチル-6β-ヒドロキシ-8β-(β-D-グルコピラノシルオキシ)-2,3,3aβ,4,5,6,6aα,7,8,9,9aβ,9bβ-ドデカヒドロ-3,9-ジメチレンアズレノ[4,5-b]フラン-2-オン
  • (3aS,6R,6aS,8R,9aR,9bR)-6-ヒドロキシ-6-メチル-3,9-ジメチリデン-8-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-ドデカヒドロアズレノ[4,5-b]フラン-2-オン
  • (3aS,6R,6aS,8R,9aR,9bR)-6-hydroxy-6-methyl-3,9-dimethylidene-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dodecahydroazuleno[4,5-b]furan-2-one
Other name (3)：
  • (3aS)-6-Methyl-6β-hydroxy-8β-(β-D-glucopyranosyloxy)-2,3,3aβ,4,5,6,6aα,7,8,9,9aβ,9bβ-dodecahydro-3,9-dimethyleneazuleno[4,5-b]furan-2-one
  • イキセリンD
  • Ixerin D
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