Chem
J-GLOBAL ID：200907075287195664   Nikkaji number：J389.337E

Halenaquinone

ハレナキノン
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： C20H12O5
Molecular formula furigana： C20-H12-O5
Molecular weight： 332.311
InChI： InChI=1S/C20H12O5/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/h2-3,6-8H,4-5H2,1H3/t20-/m0/s1
InChI key： SMGBXXZKAPMTBB-FQEVSTJZSA-N
SMILES： C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3C(=O)C=CC(=O)c3cc21
Systematic name  (3)：
  • (S)-12bβ-メチル-1H-5-オキサベンゾ[k]アセフェナントリレン-3,6,8,11(2H,12bH)-テトラオン
  • (1S)-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),6,10,13(20),15-ヘキサエン-5,8,12,17-テトラオン
  • (1S)-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4(9),6,10,13(20),15-hexaene-5,8,12,17-tetrone
Other name (5)：
  • Halenaquinone
  • ハレナキノン
  • (S)-12bβ-Methyl-1H-5-oxabenzo[k]acephenanthrylene-3,6,8,11(2H,12bH)-tetrone
  • (+)-ハレナキノン
  • (+)-Halenaquinone
CAS registry number： 86690-14-4
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