Chem
J-GLOBAL ID：200907018985881193   Nikkaji number：J1.664.895G

5-epi-Vibsanin C

5-epi-ビブサニンC
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： C25H36O5
Molecular formula furigana： C25-H36-O5
Molecular weight： 416.558
InChI： InChI=1S/C25H36O5/c1-17(2)8-7-11-25(6)12-9-20(16-26)24(29)21(15-19(5)27)22(25)10-13-30-23(28)14-18(3)4/h8-10,13-14,21-22,26H,7,11-12,15-16H2,1-6H3/t21-,22+,25+/m1/s1
InChI key： FUJYXGPHSQJMJL-SLSDLSHTSA-N
SMILES： CC(=O)C[C@@H]1[C@H](C=COC(=O)C=C(C)C)[C@@](C)(CCC=C(C)C)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-メチル-3-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)-5-(ヒドロキシメチル)-2-メチル-2-(4-メチルペンタ-3-エン-1-イル)-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)-5-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-en-1-yl)-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-methyl-3-pentenyl)-5-(hydroxymethyl)-6-oxo-7α-(2-oxopropyl)-4-cycloheptene-1α-yl]ethenyl ester
  • 5-epi-ビブサニンC
  • 5-epi-Vibsanin C
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