Chem
J-GLOBAL ID：200907008738649070   Nikkaji number：J1.741.230B

Tithofolinolide

チトホリノリド
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： C21H30O8
Molecular formula furigana： C21-H30-O8
Molecular weight： 410.463
InChI： InChI=1S/C21H30O8/c1-9(2)18(24)28-12-8-20(5)13(23)7-14(27-11(4)22)21(6,26)17(20)16-15(12)10(3)19(25)29-16/h9,12-17,23,26H,3,7-8H2,1-2,4-6H3/t12-,13-,14+,15-,16+,17-,20+,21-/m1/s1
InChI key： UABMYELNJDXARW-SYUVKRIKSA-N
SMILES： CC(C)C(=O)O[C@@H]1C[C@@]2(C)[C@H](O)C[C@H](OC(=O)C)[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
Systematic name  (3)：
  • (3aβ,4R,9aβ,9bα)-2-オキソ-3-メチレン-5aα,9-ジメチルドデカヒドロナフト[1,2-b]フラン-4α,6α,8α,9β-テトラオール4-イソブチラート8-アセタート
  • (3aR,4R,5aR,6R,8S,9S,9aS,9bS)-8-(アセチルオキシ)-6,9-ジヒドロキシ-5a,9-ジメチル-3-メチリデン-2-オキソ-ドデカヒドロナフト[1,2-b]フラン-4-イル 2-メチルプロパノアート
  • (3aR,4R,5aR,6R,8S,9S,9aS,9bS)-8-(acetyloxy)-6,9-dihydroxy-5a,9-dimethyl-3-methylidene-2-oxo-dodecahydronaphtho[1,2-b]furan-4-yl 2-methylpropanoate
Other name (3)：
  • (3aβ,4R,9aβ,9bα)-2-Oxo-3-methylene-5aα,9-dimethyldodecahydronaphtho[1,2-b]furan-4α,6α,8α,9β-tetrol 4-isobutyrate 8-acetate
  • チトホリノリド
  • Tithofolinolide
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