Chem
J-GLOBAL ID：200907045731957952   Nikkaji number：J386.416B

(S)-Serabenast

(S)-セナベナスト
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： C22H26O4
Molecular formula furigana： C22-H26-O4
Molecular weight： 354.446
InChI： InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)/t18-/m0/s1
InChI key： ZBVKEHDGYSLCCC-SFHVURJKSA-N
SMILES： CC1=C(C)C(=O)C(=C(C)C1=O)[C@@H](CCCCCC(=O)O)c1ccccc1
Systematic name  (4)：
  • (S)-7-(2,4,5-トリメチル-3,6-ジオキソ-1,4-シクロヘキサジエン-1-イル)-7-フェニルヘプタン酸
  • (S)-ζ-(2,4,5-トリメチル-3,6-ジオキソ-1,4-シクロヘキサジエン-1-イル)ベンゼンヘプタン酸
  • (7S)-7-フェニル-7-(2,4,5-トリメチル-3,6-ジオキソシクロヘキサ-1,4-ジエン-1-イル)ヘプタン酸
  • (7S)-7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
Other name (5)：
  • (S)-ζ-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)benzeneheptanoic acid
  • (S)-7-(2,4,5-Trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)-7-phenylheptanoic acid
  • (S)-セナベナスト
  • (S)-Serabenast
  • (S)-(-)-AA-2414
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