Chem
J-GLOBAL ID：200907025203270375   Nikkaji number：J108.003B

Cinerin II

シネリンII
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： C21H28O5
Molecular formula furigana： C21-H28-O5
Molecular weight： 360.450
InChI： InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1
InChI key： SHCRDCOTRILILT-WOBDGSLYSA-N
SMILES： COC(=O)/C(=C/[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(=C2C)C/C=C\C)C1(C)C)/C
Systematic name  (3)：
  • (1R,3R)-3-[(E)-3-メトキシ-2-メチル-3-オキソ-1-プロペニル]-2,2-ジメチルシクロプロパンカルボン酸(S)-3-[(Z)-2-ブテニル]-2-メチル-4-オキソ-2-シクロペンテン-1-イル
  • (1S)-3-[(2Z)-ブタ-2-エン-1-イル]-2-メチル-4-オキソシクロペンタ-2-エン-1-イル (1R,3R)-3-[(1E)-3-メトキシ-2-メチル-3-オキソプロパ-1-エン-1-イル]-2,2-ジメチルシクロプロパン-1-カルボキシラート
  • (1S)-3-[(2Z)-but-2-en-1-yl]-2-methyl-4-oxocyclopent-2-en-1-yl (1R,3R)-3-[(1E)-3-methoxy-2-methyl-3-oxoprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate
Other name (3)：
  • シネリンII
  • Cinerin II
  • (1R,3R)-3-[(E)-3-Methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid (S)-3-[(Z)-2-butenyl]-2-methyl-4-oxo-2-cyclopenten-1-yl
CAS registry number： 121-20-0
Regulation number (1)：
  • EINECS2044542
KEGG COMPOUND： C09846
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