Chem
J-GLOBAL ID：200907095865395575   Nikkaji number：J346.633G

9,10-Dihydro-9α,10β-dihydroxybenzo[a]pyrene

9,10-ジヒドロベンゾ[a]ピレン-9α,10β-ジオール
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： C20H14O2
Molecular formula furigana： C20-H14-O2
Molecular weight： 286.330
InChI： InChI=1S/C20H14O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,16,20-22H/t16-,20+/m0/s1
InChI key： GHARBPKRUUKTCI-OXJNMPFZSA-N
SMILES： O[C@H]1C=Cc2cc3ccc4cccc5ccc(c2[C@@H]1O)c3c45
Systematic name  (7)：
  • 9,10-ジヒドロベンゾ[a]ピレン-9α,10β-ジオール
  • (9α,10β)-9,10-ジヒドロベンゾ[a]ピレン-9,10-ジオール
  • (9S)-9,10-ジヒドロベンゾ[a]ピレン-9α,10β-ジオール
  • 9,10-ジヒドロ-9α,10β-ジヒドロキシベンゾ[a]ピレン
  • (9S,10S)-9,10-ジヒドロベンゾ[a]ピレン-9,10-ジオール
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Other name (2)：
  • 9,10-Dihydro-9α,10β-dihydroxybenzo[a]pyrene
  • (9S,10S)-9,10-Dihydrobenzo[a]pyrene-9,10-diol
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