Chem
J-GLOBAL ID:200907052381679322   Nikkaji number:J1.968.936K

(S)-1-Hydroxy-2-(1,3-benzodioxole-5-ylmethyl)-4-methyl-3-pentanone

(S)-1-ヒドロキシ-2-(1,3-ベンゾジオキソール-5-イルメチル)-4-メチル-3-ペンタノン
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: C14H18O4
Molecular formula furigana: C14-H18-O4
Molecular weight: 250.294
InChI: InChI=1S/C14H18O4/c1-9(2)14(16)11(7-15)5-10-3-4-12-13(6-10)18-8-17-12/h3-4,6,9,11,15H,5,7-8H2,1-2H3/t11-/m0/s1
InChI key: RMZIRHRTTROXEO-NSHDSACASA-N
SMILES: CC(C)C(=O)[C@H](CO)Cc1ccc2OCOc2c1
Systematic name  (3):
  • (S)-1-ヒドロキシ-2-(1,3-ベンゾジオキソール-5-イルメチル)-4-メチル-3-ペンタノン
  • (2S)-2-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-1-ヒドロキシ-4-メチルペンタン-3-オン
  • (2S)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-hydroxy-4-methylpentan-3-one
Other name (1):
  • (S)-1-Hydroxy-2-(1,3-benzodioxole-5-ylmethyl)-4-methyl-3-pentanone
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