Chem
J-GLOBAL ID：200907002447105899   Nikkaji number：J18.390C

Phytuberin

フィツベリン
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： C17H26O4
Molecular formula furigana： C17-H26-O4
Molecular weight： 294.391
InChI： InChI=1S/C17H26O4/c1-12(18)21-14(2,3)13-6-7-15(4)11-20-16(5)8-9-19-17(15,16)10-13/h8-9,13H,6-7,10-11H2,1-5H3/t13-,15+,16-,17-/m1/s1
InChI key： YARAJYKHRCCDLG-XLNGHYISSA-N
SMILES： CC(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1
Systematic name  (3)：
  • (3aR,9aR)-5,5a,6,7,8,9-ヘキサヒドロ-α,α,3aα,5aβ-テトラメチル-3aH-フロ[3,2-c]イソベンゾフラン-8β-メタノールアセタート
  • 2-[(1R,5R,8S,11R)-5,8-ジメチル-2,6-ジオキサトリシクロ[6.4.0.01,5]ドデカ-3-エン-11-イル]プロパン-2-イル アセタート
  • 2-[(1R,5R,8S,11R)-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.01,5]dodec-3-en-11-yl]propan-2-yl acetate
Other name (3)：
  • フィツベリン
  • Phytuberin
  • (3aR,9aR)-5,5a,6,7,8,9-Hexahydro-α,α,3aα,5aβ-tetramethyl-3aH-furo[3,2-c]isobenzofuran-8β-methanol acetate
CAS registry number： 37209-50-0
KEGG COMPOUND： C09709
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