Chem
J-GLOBAL ID：200907051405584674   Nikkaji number：J389.336G

Halenaquinol

ハレナキノール
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： C20H14O5
Molecular formula furigana： C20-H14-O5
Molecular weight： 334.327
InChI： InChI=1S/C20H14O5/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/h2-3,6-8,21-22H,4-5H2,1H3/t20-/m0/s1
InChI key： WXLYRCGVTYXHMS-FQEVSTJZSA-N
SMILES： C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3c(O)ccc(O)c3cc21
Systematic name  (3)：
  • (S)-8,11-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-3,6(2H,12bH)-ジオン
  • (1S)-5,8-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(11),3,5,7,9,13(20),15-ヘプタエン-12,17-ジオン
  • (1S)-5,8-dihydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,5,7,9,13(20),15-heptaene-12,17-dione
Other name (3)：
  • ハレナキノール
  • Halenaquinol
  • (S)-8,11-Dihydroxy-12bβ-methyl-1H-5-oxabenzo[k]acephenanthrylene-3,6(2H,12bH)-dione
CAS registry number： 96603-02-0
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