Chem
J-GLOBAL ID:200907016484609199   Nikkaji number:J1.443.880G

1β,2α,4α,5β-Tetrahydroxy-1,2,4,5-tetrahydrobenzo[a]pyrene

1β,2α,4α,5β-テトラヒドロキシ-1,2,4,5-テトラヒドロベンゾ[a]ピレン
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: C20H16O4
Molecular formula furigana: C20-H16-O4
Molecular weight: 320.344
InChI: InChI=1S/C20H16O4/c21-15-8-14-17-12(18(15)22)6-5-11-10-4-2-1-3-9(10)7-13(16(11)17)19(23)20(14)24/h1-8,15,18-24H/t15-,18-,19+,20+/m1/s1
InChI key: NNSOKQVJPBKDQO-XCLNPWKQSA-N
SMILES: O[C@@H]1C=C2[C@H](O)[C@@H](O)c3cc4ccccc4c4ccc([C@H]1O)c2c34
Systematic name  (3):
  • 1β,2α,4α,5β-テトラヒドロキシ-1,2,4,5-テトラヒドロベンゾ[a]ピレン
  • (10S,11S,14R,15R)-ペンタシクロ[10.6.2.02,7.09,19.016,20]イコサ-1(18),2,4,6,8,12,16,19-オクタエン-10,11,14,15-テトラオール
  • (10S,11S,14R,15R)-pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(18),2,4,6,8,12,16,19-octaene-10,11,14,15-tetrol
Other name (1):
  • 1β,2α,4α,5β-Tetrahydroxy-1,2,4,5-tetrahydrobenzo[a]pyrene
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