Chem
J-GLOBAL ID：200907083527181677   Nikkaji number：J866.427G

Kazinol B

カジノールB
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： C25H28O4
Molecular formula furigana： C25-H28-O4
Molecular weight： 392.495
InChI： InChI=1S/C25H28O4/c1-15(2)5-9-19-20(13-17-11-12-25(3,4)29-24(17)23(19)27)21-10-7-16-6-8-18(26)14-22(16)28-21/h5-6,8,11-14,21,26-27H,7,9-10H2,1-4H3/t21-/m0/s1
InChI key： QSCBHDIGHKHWKC-NRFANRHFSA-N
SMILES： CC(=CCc1c(O)c2OC(C)(C)C=Cc2cc1[C@@H]1CCc2ccc(O)cc2O1)C
Systematic name  (3)：
  • (2S)-3,4-ジヒドロ-2′,2′-ジメチル-7′-(3-メチル-2-ブテニル)-2,6′-ビ[2H-1-ベンゾピラン]-7,8′-ジオール
  • 6-[(2S)-7-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-2,2-ジメチル-7-(3-メチルブタ-2-エン-1-イル)-2H-クロメン-8-オール
  • 6-[(2S)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-2H-chromen-8-ol
Other name (3)：
  • カジノールB
  • Kazinol B
  • (2S)-3,4-Dihydro-2′,2′-dimethyl-7′-(3-methyl-2-butenyl)-2,6′-bi[2H-1-benzopyran]-7,8′-diol
CAS registry number： 99624-27-8
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