Chem
J-GLOBAL ID：200907029849165770   Nikkaji number：J2.770.081K

Scorpioidin

スコルピオイジン
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： C16H20O4
Molecular formula furigana： C16-H20-O4
Molecular weight： 276.332
InChI： InChI=1S/C16H20O4/c1-10-5-4-6-12(16(18)19-3)7-8-13-11(2)15(17)20-14(13)9-10/h5,7,13-14H,2,4,6,8-9H2,1,3H3/b10-5+,12-7+/t13-,14+/m1/s1
InChI key： OXZSJXCNOUZXAQ-XZLAOAIESA-N
SMILES： COC(=O)/C/1=C/C[C@H]2[C@H](C/C(=C/CC1)/C)OC(=O)C2=C
Systematic name  (3)：
  • (3aR,5E,9E,11aS)-2,3,3a,4,7,8,11,11a-オクタヒドロ-10-メチル-3-メチレン-2-オキソシクロデカ[b]フラン-6-カルボン酸メチル
  • メチル (3aR,11aS)-10-メチル-3-メチリデン-2-オキソ-2H,3H,3aH,4H,7H,8H,11H,11aH-シクロデカ[b]フラン-6-カルボキシラート
  • methyl (3aR,11aS)-10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-6-carboxylate
Other name (3)：
  • (3aR,5E,9E,11aS)-2,3,3a,4,7,8,11,11a-Octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
  • Scorpioidin
  • スコルピオイジン
CAS registry number： 76045-40-4
KEGG COMPOUND： C09548
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