Chem
J-GLOBAL ID：201407047759084868   Nikkaji number：J3.258.385G

[[(1Z,5E,8E)-4,4,8-Trimethyl-7-oxo-1,5,8-cycloundecatriene-1-yl]methyl]malonic acid diethyl ester

[[(1Z,5E,8E)-4,4,8-トリメチル-7-オキソ-1,5,8-シクロウンデカトリエン-1-イル]メチル]マロン酸ジエチル
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： C22H32O5
Molecular formula furigana： C22-H32-O5
Molecular weight： 376.493
InChI： InChI=1S/C22H32O5/c1-6-26-20(24)18(21(25)27-7-2)15-17-10-8-9-16(3)19(23)12-14-22(4,5)13-11-17/h9,11-12,14,18H,6-8,10,13,15H2,1-5H3/b14-12+,16-9+,17-11-
InChI key： IZSQQQPIDCHSAJ-IYYLBUSMSA-N
SMILES： CCOC(=O)C(C/C/1=C\CC(C)(C)/C=C/C(=O)/C(=C/CC1)/C)C(=O)OCC
Systematic name  (3)：
  • [[(1Z,5E,8E)-4,4,8-トリメチル-7-オキソ-1,5,8-シクロウンデカトリエン-1-イル]メチル]マロン酸ジエチル
  • 1,3-ジエチル 2-{[(1Z,5E,8E)-4,4,8-トリメチル-7-オキソシクロウンデカ-1,5,8-トリエン-1-イル]メチル}プロパンジオアート
  • 1,3-diethyl 2-{[(1Z,5E,8E)-4,4,8-trimethyl-7-oxocycloundeca-1,5,8-trien-1-yl]methyl}propanedioate
Other name (1)：
  • [[(1Z,5E,8E)-4,4,8-Trimethyl-7-oxo-1,5,8-cycloundecatriene-1-yl]methyl]malonic acid diethyl ester
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