Chem
J-GLOBAL ID：200907091754496423   Nikkaji number：J18.723B

Chromolaenide

クロモレニド
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： C22H28O7
Molecular formula furigana： C22-H28-O7
Molecular weight： 404.459
InChI： InChI=1S/C22H28O7/c1-12-6-7-17(27-16(5)24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-23/h6,8,11,17-20,23H,4,7,9-10H2,1-3,5H3/b12-6+,13-8+,14-11-/t17-,18+,19+,20+/m0/s1
InChI key： FOCCASNSHDSZLN-CGZYOCHMSA-N
SMILES： CC(=O)O[C@H]1C/C=C(\C)/C[C@@H](OC(=O)/C(=C/CO)/C)[C@@H]2[C@H](OC(=O)C2=C)/C=C\1/C
Systematic name  (1)：
  • (E)-4-ヒドロキシ-2-メチル-2-ブテン酸[(3aR,4R,6E,9S,10Z,11aR)-9-アセトキシ-2,3,3a,4,5,8,9,11a-オクタヒドロ-6,10-ジメチル-3-メチレン-2-オキソシクロデカ[b]フラン-4-イル]
Other name (4)：
  • クロモレニド
  • クロモラエニド
  • Chromolaenide
  • (E)-4-Hydroxy-2-methyl-2-butenoic acid [(3aR,4R,6E,9S,10Z,11aR)-9-acetoxy-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl] ester
CAS registry number： 66148-25-2
KEGG COMPOUND： C09361
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