Chem
J-GLOBAL ID：200907004703225751   Nikkaji number：J1.965.521K

ent-12-Oxo-2,3-secobeyer-15-ene-2,3-dioic acid

ent-12-オキソ-2,3-セコベイエラ-15-エン-2,3-二酸
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： C20H28O5
Molecular formula furigana： C20-H28-O5
Molecular weight： 348.439
InChI： InChI=1S/C20H28O5/c1-17(2,16(24)25)12-5-6-20-8-7-18(3,11-20)14(21)9-13(20)19(12,4)10-15(22)23/h7-8,12-13H,5-6,9-11H2,1-4H3,(H,22,23)(H,24,25)/t12-,13-,18-,19-,20+/m1/s1
InChI key： NTNYEJFDYFYWKG-ATPQOZSISA-N
SMILES： CC(C)([C@H]1CC[C@@]23C[C@@](C)(C=C2)C(=O)C[C@@H]3[C@]1(C)CC(=O)O)C(=O)O
Systematic name  (3)：
  • (5S,8R,9R,10S,13S)-12-オキソ-2,3-セコベイエラ-15-エン-2,3-二酸
  • 2-[(1R,4S,5S,6R,9S)-5-(カルボキシメチル)-5,9-ジメチル-8-オキソトリシクロ[7.2.1.01,6]ドデカ-10-エン-4-イル]-2-メチルプロパン酸
  • 2-[(1R,4S,5S,6R,9S)-5-(carboxymethyl)-5,9-dimethyl-8-oxotricyclo[7.2.1.01,6]dodec-10-en-4-yl]-2-methylpropanoic acid
Other name (3)：
  • (5S,8R,9R,10S,13S)-12-Oxo-2,3-secobeyera-15-ene-2,3-dioic acid
  • ent-12-Oxo-2,3-secobeyer-15-ene-2,3-dioic acid
  • ent-12-オキソ-2,3-セコベイエラ-15-エン-2,3-二酸
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