Chem
J-GLOBAL ID：200907060657460004   Nikkaji number：J430.445D

7,8-Dihydrobenzo[a]pyrene-7β,8β-diol

7,8-ジヒドロベンゾ[a]ピレン-7β,8β-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/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20+/m0/s1
InChI key： YDXRLMMGARHIIC-FXAWDEMLSA-N
SMILES： O[C@H]1C=Cc2c(cc3ccc4cccc5ccc2c3c45)[C@H]1O
Systematic name  (5)：
  • (7R,8S)-7,8-ジヒドロベンゾ[a]ピレン-7,8-ジオール
  • (7R)-7,8-ジヒドロベンゾ[a]ピレン-7,8β-ジオール
  • 7,8-ジヒドロベンゾ[a]ピレン-7β,8β-ジオール
  • (5S,6R)-ペンタシクロ[10.6.2.02,7.09,19.016,20]イコサ-1(18),2(7),3,8,10,12,14,16,19-ノナエン-5,6-ジオール
  • (5S,6R)-pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2(7),3,8,10,12,14,16,19-nonaene-5,6-diol
Other name (2)：
  • (7R)-7,8-Dihydrobenzo[a]pyrene-7,8β-diol
  • 7,8-Dihydrobenzo[a]pyrene-7β,8β-diol
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