Chem
J-GLOBAL ID：200907014662171663   Nikkaji number：J1.664.897C

5-epi-Vibsanin K

5-epi-ビブサニンK
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： C25H36O7
Molecular formula furigana： C25-H36-O7
Molecular weight： 448.556
InChI： InChI=1S/C25H36O7/c1-17(2)14-22(28)31-13-9-21-20(15-18(3)27)23(29)19(16-26)8-12-25(21,6)11-7-10-24(4,5)32-30/h7-10,13-14,20-21,26,30H,11-12,15-16H2,1-6H3/t20-,21+,25+/m1/s1
InChI key： IWBJGUXNIZBHTO-CZSZKKDXSA-N
SMILES： CC(=O)C[C@@H]1[C@H](C=COC(=O)C=C(C)C)[C@@](C)(CC=CC(C)(C)OO)CC=C(CO)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-(ヒドロキシメチル)-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-(ヒドロキシメチル)-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-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl 3-methylbut-2-enoate
Other name (3)：
  • 3-Methyl-2-butenoic acid 2-[(1S)-2α-methyl-2-(4-hydroperoxy-4-methyl-2-pentenyl)-5-(hydroxymethyl)-6-oxo-7α-(2-oxopropyl)-4-cycloheptene-1α-yl]ethenyl ester
  • 5-epi-ビブサニンK
  • 5-epi-Vibsanin K
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