Chem
J-GLOBAL ID：200907071081493426   Nikkaji number：J15.963H

Tetraneurin A

テトラノイリンA
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： C17H22O6
Molecular formula furigana： C17-H22-O6
Molecular weight： 322.357
InChI： InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1
InChI key： DKYQYDPTWYXAFT-BEANVFONSA-N
SMILES： CC(=O)OC[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]2(C)C(=O)CC[C@@]12O
Systematic name  (3)：
  • (3aS,9bβ)-ドデカヒドロ-6α-アセトキシメチル-6aβ-ヒドロキシ-9aα-メチル-3-メチレンアズレノ[4,5-b]フラン-2,9-ジオン
  • [(3aS,6R,6aR,9aS,9bR)-6a-ヒドロキシ-9a-メチル-3-メチリデン-2,9-ジオキソ-ドデカヒドロアズレノ[4,5-b]フラン-6-イル]メチル アセタート
  • [(3aS,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-dodecahydroazuleno[4,5-b]furan-6-yl]methyl acetate
Other name (3)：
  • テトラノイリンA
  • Tetraneurin A
  • (3aS,9bβ)-Dodecahydro-6α-acetoxymethyl-6aβ-hydroxy-9aα-methyl-3-methyleneazuleno[4,5-b]furan-2,9-dione
CAS registry number： 22621-72-3
KEGG COMPOUND： C09559
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