Chem
J-GLOBAL ID:200907050586138011   Nikkaji number:J1.755.147G

Xanthanthusin E

キサンタンツシンE
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: C19H24O6
Molecular formula furigana: C19-H24-O6
Molecular weight: 348.395
InChI: InChI=1S/C19H24O6/c1-9(2)10-13(20)11(16(23)24)12(15(22)14(10)21)19(5)8-6-7-18(3,4)17(19)25/h9,21H,6-8H2,1-5H3,(H,23,24)/t19-/m1/s1
InChI key: SGKJGYABTMHZMR-LJQANCHMSA-N
SMILES: CC(C)C1=C(O)C(=O)C(=C(C(=O)O)C1=O)[C@@]1(C)CCCC(C)(C)C1=O
Systematic name  (3):
  • 2-[(1R)-1,3,3-トリメチル-2-オキソシクロヘキサン-1-イル]-3,6-ジオキソ-4-ヒドロキシ-5-イソプロピル-1,4-シクロヘキサジエン-1-カルボン酸
  • 4-ヒドロキシ-3,6-ジオキソ-5-(プロパン-2-イル)-2-[(1R)-1,3,3-トリメチル-2-オキソシクロヘキシル]シクロヘキサ-1,4-ジエン-1-カルボン酸
  • 4-hydroxy-3,6-dioxo-5-(propan-2-yl)-2-[(1R)-1,3,3-trimethyl-2-oxocyclohexyl]cyclohexa-1,4-diene-1-carboxylic acid
Other name (3):
  • 2-[(1R)-1,3,3-Trimethyl-2-oxocyclohexane-1-yl]-3,6-dioxo-4-hydroxy-5-isopropyl-1,4-cyclohexadiene-1-carboxylic acid
  • キサンタンツシンE
  • Xanthanthusin E
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