Chem
J-GLOBAL ID：200907034479521494   Nikkaji number：J966.372J

Vibsanin G

ビブサニンG
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： C25H36O6
Molecular formula furigana： C25-H36-O6
Molecular weight： 432.557
InChI： InChI=1S/C25H36O6/c1-16(2)13-23(29)31-12-9-21-20(14-18(5)27)24(30)19(15-26)7-10-25(21,6)11-8-22(28)17(3)4/h7,9,12-13,20-22,26,28H,3,8,10-11,14-15H2,1-2,4-6H3/t20-,21-,22?,25+/m0/s1
InChI key： HOUIWALHPPJDOP-BHIVWXEYSA-N
SMILES： CC(=CC(=O)OC=C[C@H]1[C@H](CC(=O)C)C(=O)C(=CC[C@]1(C)CCC(O)C(=C)C)CO)C
Systematic name  (3)：
  • 3-メチル-2-ブテン酸2-[(1S)-2α-メチル-2-(3-ヒドロキシ-4-メチル-4-ペンテニル)-5-(ヒドロキシメチル)-6-オキソ-7β-(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,7S)-2-(3-ヒドロキシ-4-メチルペンタ-4-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,7S)-2-(3-hydroxy-4-methylpent-4-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-(3-hydroxy-4-methyl-4-pentenyl)-5-(hydroxymethyl)-6-oxo-7β-(2-oxopropyl)-4-cycloheptene-1α-yl]ethenyl ester
  • ビブサニンG
  • Vibsanin G
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