Chem
J-GLOBAL ID：200907077116302864   Nikkaji number：J1.148G

7,8,9,10-Tetrahydrobenzo[a]pyrene-7β,8α,9α-triol

7,8,9,10-テトラヒドロベンゾ[a]ピレン-7β,8α,9α-トリオール
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： C20H16O3
Molecular formula furigana： C20-H16-O3
Molecular weight： 304.345
InChI： InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
InChI key： GFANZDFKCCJYRF-NSISKUIASA-N
SMILES： O[C@@H]1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • (7R)-7,8,9,10-テトラヒドロベンゾ[a]ピレン-7β,8α,9α-トリオール
  • 7,8,9,10-テトラヒドロベンゾ[a]ピレン-7β,8α,9α-トリオール
  • (4R,5R,6R)-ペンタシクロ[10.6.2.02,7.09,19.016,20]イコサ-1(18),2(7),8,10,12,14,16,19-オクタエン-4,5,6-トリオール
  • (4R,5R,6R)-pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2(7),8,10,12,14,16,19-octaene-4,5,6-triol
Other name (1)：
  • 7,8,9,10-Tetrahydrobenzo[a]pyrene-7β,8α,9α-triol
CAS registry number： 75110-15-5
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