Chem
J-GLOBAL ID:200907089261313066
Nikkaji number:J1.968.937I
(R)-1-Hydroxy-2-(1,3-benzodioxole-5-ylmethyl)-4-methyl-3-pentanone
(R)-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
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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:
C14 H18 O4
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-/m1/s1
InChI key:
RMZIRHRTTROXEO-LLVKDONJSA-N
SMILES:
CC(C)C(=O)[C@@H](CO)Cc1ccc2OCOc2c1
Systematic name (3):
(R)-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
(2R)-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
(2R)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-1-hydroxy-4-methylpentan-3-one
Other name (1):
(R)-1-Hydroxy-2-(1,3-benzodioxole-5-ylmethyl)-4-methyl-3-pentanone
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