Chem
J-GLOBAL ID:200907048256509094   Nikkaji number:J905.731E

(2R)-3α-(Methoxymethyl)-2α-methyl-4α-nitro-5β-(2-furyl)cyclohexanone

(2R)-3α-(メトキシメチル)-2α-メチル-4α-ニトロ-5β-(2-フリル)シクロヘキサノン
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: C13H17[N+]O4[O-]
Molecular formula furigana: C13-H17-N-O5
Molecular weight: 267.281
InChI: InChI=1S/C13H17NO5/c1-8-10(7-18-2)13(14(16)17)9(6-11(8)15)12-4-3-5-19-12/h3-5,8-10,13H,6-7H2,1-2H3/t8-,9-,10+,13-/m1/s1
InChI key: HRTSDWWVHFXTGJ-ORXSELOVSA-N
SMILES: COC[C@H]1[C@@H](C)C(=O)C[C@@H]([C@H]1[N+](=O)[O-])c1ccco1
Systematic name  (3):
  • (2R)-3α-(メトキシメチル)-2α-メチル-4α-ニトロ-5β-(2-フリル)シクロヘキサノン
  • (2R,3S,4S,5S)-5-(フラン-2-イル)-3-(メトキシメチル)-2-メチル-4-ニトロシクロヘキサン-1-オン
  • (2R,3S,4S,5S)-5-(furan-2-yl)-3-(methoxymethyl)-2-methyl-4-nitrocyclohexan-1-one
Other name (1):
  • (2R)-3α-(Methoxymethyl)-2α-methyl-4α-nitro-5β-(2-furyl)cyclohexanone
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