Chem
J-GLOBAL ID:200907026242676377   Nikkaji number:J1.165.741I

(1α,6α)-3-Methyl-4-butyl-4-(nitrooxy)-2-oxabicyclo[4.3.0]nonane

(1α,6α)-3-メチル-4-ブチル-4-(ニトロオキシ)-2-オキサビシクロ[4.3.0]ノナン
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: C13H23[N+]O3[O-]
Molecular formula furigana: C13-H23-N-O4
Molecular weight: 257.329
InChI: InChI=1S/C13H23NO4/c1-3-4-8-13(18-14(15)16)9-11-6-5-7-12(11)17-10(13)2/h10-12H,3-9H2,1-2H3/t10?,11-,12-,13?/m1/s1
InChI key: OCOUMGJIHUWDBF-QZQSVVMZSA-N
SMILES: CCCCC1(C[C@H]2CCC[C@H]2OC1C)O[N+](=O)[O-]
Systematic name  (3):
  • (1α,6α)-3-メチル-4-ブチル-4-(ニトロオキシ)-2-オキサビシクロ[4.3.0]ノナン
  • (4aR,7aR)-3-ブチル-2-メチル-オクタヒドロシクロペンタ[b]ピラン-3-イル ニトラート
  • (4aR,7aR)-3-butyl-2-methyl-octahydrocyclopenta[b]pyran-3-yl nitrate
Other name (1):
  • (1α,6α)-3-Methyl-4-butyl-4-(nitrooxy)-2-oxabicyclo[4.3.0]nonane
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