Chem
J-GLOBAL ID：200907001281753270   Nikkaji number：J553.119E

Tetrahydrohalenaquinone A

テトラヒドロハレナキノンA
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： C20H20O5
Molecular formula furigana： C20-H20-O5
Molecular weight： 340.375
InChI： InChI=1S/C20H20O5/c1-20-5-4-16(23)12-8-25-19(17(12)20)18(24)11-6-9-10(7-13(11)20)15(22)3-2-14(9)21/h6-7,12,14,16,21,23H,2-5,8H2,1H3/t12-,14-,16-,20-/m0/s1
InChI key： LDBFCXDBDKSROL-DXJCSPRDSA-N
SMILES： C[C@@]12CC[C@H](O)[C@@H]3COC(=C13)C(=O)c1cc3[C@@H](O)CCC(=O)c3cc21
Systematic name  (3)：
  • 2,3,3aβ,4,9,10-ヘキサヒドロ-3α,8β-ジヒドロキシ-12bβ-メチル-1H-5-オキサベンゾ[k]アセフェナントリレン-6,11(8H,12bH)-ジオン
  • (1S,8S,16S,17S)-8,17-ジヒドロキシ-1-メチル-14-オキサペンタシクロ[11.6.1.02,11.04,9.016,20]イコサ-2,4(9),10,13(20)-テトラエン-5,12-ジオン
  • (1S,8S,16S,17S)-8,17-dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4(9),10,13(20)-tetraene-5,12-dione
Other name (3)：
  • テトラヒドロハレナキノンA
  • Tetrahydrohalenaquinone A
  • 2,3,3aβ,4,9,10-Hexahydro-3α,8β-dihydroxy-12bβ-methyl-1H-5-oxabenzo[k]acephenanthrylene-6,11(8H,12bH)-dione
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