Chem
J-GLOBAL ID：200907053660297061   Nikkaji number：J19.363A

Buddledin A

ブッドレジン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： C17H24O3
Molecular formula furigana： C17-H24-O3
Molecular weight： 276.376
InChI： InChI=1S/C17H24O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h8,13-14,16H,1,6-7,9H2,2-5H3/b11-8+/t13-,14+,16-/m1/s1
InChI key： SXWKLEULMBLXJM-PCRFWOPQSA-N
SMILES： CC(=O)O[C@@H]1[C@@H]2[C@H](CC2(C)C)C(=C)CC/C=C(\C)/C1=O
Systematic name  (3)：
  • (1R,2R,4E,9S)-2-アセトキシ-4,11,11-トリメチル-8-メチレンビシクロ[7.2.0]ウンデカ-4-エン-3-オン
  • (1R,2R,4E,9S)-4,11,11-トリメチル-8-メチリデン-3-オキソビシクロ[7.2.0]ウンデカ-4-エン-2-イル アセタート
  • (1R,2R,4E,9S)-4,11,11-trimethyl-8-methylidene-3-oxobicyclo[7.2.0]undec-4-en-2-yl acetate
Other name (3)：
  • ブッドレジンA
  • Buddledin A
  • (1R,2R,4E,9S)-2-Acetoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one
CAS registry number： 62346-20-7
KEGG COMPOUND： C09623
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