Chem
J-GLOBAL ID：200907058171361450   Nikkaji number：J1.664.894I

3-Methyl-2-butenoic acid 2-[(1S)-2α-methyl-2-(4-hydroperoxy-4-methyl-2-pentenyl)-5-(methoxymethyl)-6-oxo-7α-(2-oxopropyl)-4-cycloheptene-1α-yl]ethenyl ester

3-メチル-2-ブテン酸2-[(1S)-2α-メチル-2-(4-ヒドロペルオキシ-4-メチル-2-ペンテニル)-5-(メトキシメチル)-6-オキソ-7α-(2-オキソプロピル)-4-シクロヘプテン-1α-イル]エテニル
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： C26H38O7
Molecular formula furigana： C26-H38-O7
Molecular weight： 462.583
InChI： InChI=1S/C26H38O7/c1-18(2)15-23(28)32-14-10-22-21(16-19(3)27)24(29)20(17-31-7)9-13-26(22,6)12-8-11-25(4,5)33-30/h8-11,14-15,21-22,30H,12-13,16-17H2,1-7H3/t21-,22+,26+/m1/s1
InChI key： FLCCFFRXIUCVFQ-UFPGJGBJSA-N
SMILES： COCC1=CC[C@](C)(CC=CC(C)(C)OO)[C@@H](C=COC(=O)C=C(C)C)[C@@H](CC(=O)C)C1=O
Systematic name  (3)：
  • 3-メチル-2-ブテン酸2-[(1S)-2α-メチル-2-(4-ヒドロペルオキシ-4-メチル-2-ペンテニル)-5-(メトキシメチル)-6-オキソ-7α-(2-オキソプロピル)-4-シクロヘプテン-1α-イル]エテニル
  • 2-[(1S,2S,7R)-2-(4-ヒドロペルオキシ-4-メチルペンタ-2-エン-1-イル)-5-(メトキシメチル)-2-メチル-6-オキソ-7-(2-オキソプロピル)シクロヘプタ-4-エン-1-イル]エテニル 3-メチルブタ-2-エノアート
  • 2-[(1S,2S,7R)-2-(4-hydroperoxy-4-methylpent-2-en-1-yl)-5-(methoxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl 3-methylbut-2-enoate
Other name (1)：
  • 3-Methyl-2-butenoic acid 2-[(1S)-2α-methyl-2-(4-hydroperoxy-4-methyl-2-pentenyl)-5-(methoxymethyl)-6-oxo-7α-(2-oxopropyl)-4-cycloheptene-1α-yl]ethenyl ester
Thsaurus map：
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