Chem
J-GLOBAL ID：200907000170823699   Nikkaji number：J297.789C

Fumaropimaric acid

フマロピマル酸
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： C24H34O6
Molecular formula furigana： C24-H34-O6
Molecular weight： 418.530
InChI： InChI=1S/C24H34O6/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(29)30)16(24)10-13(14)17(19(25)26)18(24)20(27)28/h11-13,15-18H,5-10H2,1-4H3,(H,25,26)(H,27,28)(H,29,30)/t13-,15+,16+,17+,18+,22-,23+,24-/m0/s1
InChI key： PXYRCOIAFZBLBN-HQJFNQTASA-N
SMILES： CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2C[C@@H]1[C@H]([C@@H]3C(=O)O)C(=O)O
Systematic name  (3)：
  • (8α,12α,13R,14S)-13,14-ジカルボキシ-16-イソプロピル-17-ノルアチサ-15-エン-18-酸
  • (1S,4R,5R,9R,10R,12R,13R,14S)-5,9-ジメチル-16-(プロパン-2-イル)テトラシクロ[10.2.2.01,10.04,9]ヘキサデカ-15-エン-5,13,14-トリカルボン酸
  • (1S,4R,5R,9R,10R,12R,13R,14S)-5,9-dimethyl-16-(propan-2-yl)tetracyclo[10.2.2.01,10.04,9]hexadec-15-ene-5,13,14-tricarboxylic acid
Other name (3)：
  • (8α,12α,13R,14S)-13,14-Dicarboxy-16-isopropyl-17-noratis-15-en-18-oic acid
  • フマロピマル酸
  • Fumaropimaric acid
CAS registry number： 125-66-6
Regulation number (2)：
  • EINECS2047480
  • TSCA(125-66-6)
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