Chem
J-GLOBAL ID：200907037789454079   Nikkaji number：J239.109K

(-)-anti-BPDE

(-)-anti-BPDE
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： C20H14O3
Molecular formula furigana： C20-H14-O3
Molecular weight： 302.329
InChI： InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m0/s1
InChI key： DQEPMTIXHXSFOR-ZGXWSNOMSA-N
SMILES： O[C@H]1[C@H]2O[C@H]2c2c(cc3ccc4cccc5ccc2c3c45)[C@@H]1O
Systematic name  (19)：
  • 7,8,8aα,9aα-テトラヒドロベンゾ[10,11]クリセノ[3,4-b]オキシレン-7α,8β-ジオール
  • (7S,8R,9R,10S)-7,8,9,10-テトラヒドロ-9,10-エポキシベンゾ[a]ピレン-7,8-ジオール
  • (7S,8R,9R,10S)-9,10-エポキシ-7,8,9,10-テトラヒドロベンゾ[a]ピレン-7,8-ジオール
  • (7S)-9β,10β-エポキシ-(7,8,9,10-テトラヒドロベンゾ[a]ピレン)-7α,8β-ジオール
  • 7,8,9,10-テトラヒドロ-9β,10β-エポキシベンゾ[a]ピレン-7α,8β-ジオール
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Other name (12)：
  • (-)-7,8,9,10-Tetrahydro-9β,10β-epoxybenzo[a]pyrene-7α,8β-diol
  • (-)-anti-BPDE
  • (7S,8R,8aR,9aS)-7,8,8a,9a-Tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol
  • (-)-DE2
  • (7S,8R,9R,10S)-7,8,9,10-Tetrahydro-7,8-dihydroxy-9,10-epoxybenzo[a]pyrene
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CAS registry number： 63323-30-8
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