Chem
J-GLOBAL ID：200907033793159299   Nikkaji number：J866.426I

Kazinol A

カジノールA
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： C25H30O4
Molecular formula furigana： C25-H30-O4
Molecular weight： 394.511
InChI： InChI=1S/C25H30O4/c1-15(2)5-7-18-13-21(20(11-6-16(3)4)25(28)24(18)27)22-12-9-17-8-10-19(26)14-23(17)29-22/h5-6,8,10,13-14,22,26-28H,7,9,11-12H2,1-4H3/t22-/m0/s1
InChI key： QXHVECWDOBLWPW-QFIPXVFZSA-N
SMILES： CC(=CCc1cc([C@@H]2CCc3ccc(O)cc3O2)c(CC=C(C)C)c(O)c1O)C
Systematic name  (3)：
  • 4-[[(S)-3,4-ジヒドロ-7-ヒドロキシ-2H-1-ベンゾピラン]-2α-イル]-3,6-ビス(3-メチル-2-ブテニル)-1,2-ベンゼンジオール
  • 4-[(2S)-7-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-2-イル]-3,6-ビス(3-メチルブタ-2-エン-1-イル)ベンゼン-1,2-ジオール
  • 4-[(2S)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-3,6-bis(3-methylbut-2-en-1-yl)benzene-1,2-diol
Other name (3)：
  • カジノールA
  • Kazinol A
  • 4-[[(S)-3,4-Dihydro-7-hydroxy-2H-1-benzopyran]-2α-yl]-3,6-bis(3-methyl-2-butenyl)-1,2-benzenediol
CAS registry number： 99624-28-9
KEGG COMPOUND： C09760
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