Chem
J-GLOBAL ID：200907097223248377   Nikkaji number：J17.008I

Alatolide

アラトリド
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： C19H26O6
Molecular formula furigana： C19-H26-O6
Molecular weight： 350.411
InChI： InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8,11,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b13-5-,14-8-/t15-,16+,17+/m0/s1
InChI key： IAKJNLGPQQXWAV-YINPGZOOSA-N
SMILES： CC(C)C(=O)O[C@H]1C/C(=C/CC/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)/CO)/CO
Systematic name  (3)：
  • 2-メチルプロピオン酸[(3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-オクタヒドロ-6,10-ビス(ヒドロキシメチル)-3-メチレン-2-オキソシクロデカ[b]フラン-4-イル]
  • (3aR,4S,11aR)-6,10-ビス(ヒドロキシメチル)-3-メチリデン-2-オキソ-2H,3H,3aH,4H,5H,8H,9H,11aH-シクロデカ[b]フラン-4-イル 2-メチルプロパノアート
  • (3aR,4S,11aR)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl 2-methylpropanoate
Other name (3)：
  • アラトリド
  • Alatolide
  • 2-Methylpropionic acid [(3aR,4S,6Z,10Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl] ester
CAS registry number： 41929-10-6
KEGG COMPOUND： C09290
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