Chem
J-GLOBAL ID：200907082642328502   Nikkaji number：J1.953.617C

Panaefluoroline A

パナエフルオロリン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： C19H23[N+]O3[O-]
Molecular formula furigana： C19-H23-N-O4
Molecular weight： 329.396
InChI： InChI=1S/C19H23NO4/c1-11-8-12-6-7-13-9-15(19(4,5)23)24-16(13)14(12)10-20(11)18(2,3)17(21)22/h6-8,10,15,23H,9H2,1-5H3
InChI key： QFMYCULHHOXKTK-UHFFFAOYSA-N
SMILES： Cc1cc2ccc3CC(Oc3c2c[n+]1C(C)(C)C(=O)[O-])C(C)(C)O
Systematic name  (3)：
  • 2-[2-(1-ヒドロキシ-1-メチルエチル)-7-メチル-2,3-ジヒドロ-1-オキサ-8-アゾニア-1H-シクロペンタ[a]ナフタレン-8-イル]イソ酪酸アニオン
  • 8-(1-カルボキシラト-1-メチルエチル)-2-(2-ヒドロキシプロパン-2-イル)-7-メチル-2H,3H-フロ[3,2-h]イソキノリン-8-イウム
  • 8-(1-carboxylato-1-methylethyl)-2-(2-hydroxypropan-2-yl)-7-methyl-2H,3H-furo[3,2-h]isoquinolin-8-ium
Other name (3)：
  • 2-[2-(1-Hydroxy-1-methylethyl)-7-methyl-2,3-dihydro-1-oxa-8-azonia-1H-cyclopenta[a]naphthalene-8-yl]isobutyric acid anion
  • パナエフルオロリンA
  • Panaefluoroline A
CAS registry number： 637354-33-7
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