Chem
J-GLOBAL ID：201407055829129042   Nikkaji number：J3.310.834F

3-Oxo-9aβ-(2-oxo-2-hydroxyethyl)-2,3,3aβ,3bα,5,6,8aα,9a-octahydro-2-aza-4,9-dioxa-1H-cyclopenta[a]azulene-1β-carboxylic acid

ent-(2R)-IKM-154
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： C13H15NO7
Molecular formula furigana： C13-H15-N-O7
Molecular weight： 297.263
InChI： InChI=1S/C13H15NO7/c15-7(16)5-13-8(11(17)14-10(13)12(18)19)9-6(21-13)3-1-2-4-20-9/h1,3,6,8-10H,2,4-5H2,(H,14,17)(H,15,16)(H,18,19)/t6-,8+,9+,10-,13+/m1/s1
InChI key： ZDPNUUVKSGYMTA-QCAOHCQOSA-N
SMILES： OC(=O)C[C@]12O[C@@H]3C=CCCO[C@@H]3[C@H]1C(=O)N[C@@H]2C(=O)O
Systematic name  (3)：
  • 3-オキソ-9aβ-(2-オキソ-2-ヒドロキシエチル)-2,3,3aβ,3bα,5,6,8aα,9a-オクタヒドロ-2-アザ-4,9-ジオキサ-1H-シクロペンタ[a]アズレン-1β-カルボン酸
  • (1R,2R,5S,6S,8R)-6-(カルボキシメチル)-3-オキソ-7,13-ジオキサ-4-アザトリシクロ[6.5.0.02,6]トリデカ-9-エン-5-カルボン酸
  • (1R,2R,5S,6S,8R)-6-(carboxymethyl)-3-oxo-7,13-dioxa-4-azatricyclo[6.5.0.02,6]tridec-9-ene-5-carboxylic acid
Other name (2)：
  • 3-Oxo-9aβ-(2-oxo-2-hydroxyethyl)-2,3,3aβ,3bα,5,6,8aα,9a-octahydro-2-aza-4,9-dioxa-1H-cyclopenta[a]azulene-1β-carboxylic acid
  • ent-(2R)-IKM-154
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