Chem
J-GLOBAL ID：200907022024817117   Nikkaji number：J737.687A

(3S,4S,5S,7R,8R,9R)-4-(3-Chloropropyl)-5,7-dimethyl-3,9:4,8-diepoxy-1,2-dioxonan-6-one

(3S,4S,5S,7R,8R,9R)-4-(3-クロロプロピル)-5,7-ジメチル-3,9:4,8-ジエポキシ-1,2-ジオキソナン-6-オン
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： C12H17ClO5
Molecular formula furigana： C12-H17-CL-O5
Molecular weight： 276.710
InChI： InChI=1S/C12H17ClO5/c1-6-8(14)7(2)12(4-3-5-13)11-15-10(17-18-11)9(6)16-12/h6-7,9-11H,3-5H2,1-2H3/t6-,7+,9+,10+,11?,12-/m0/s1
InChI key： PYALCGFECJDLMW-NNVUGGFPSA-N
SMILES： C[C@@H]1[C@H]2O[C@](CCCCl)([C@@H]3OO[C@H]2O3)[C@H](C)C1=O
Systematic name  (3)：
  • (3S,4S,5S,7R,8R,9R)-4-(3-クロロプロピル)-5,7-ジメチル-3,9:4,8-ジエポキシ-1,2-ジオキソナン-6-オン
  • (1S,2S,5R,6R,7R,9S)-1-(3-クロロプロピル)-7,9-ジメチル-3,4,10,11-テトラオキサトリシクロ[4.3.1.12,5]ウンデカン-8-オン
  • (1S,2S,5R,6R,7R,9S)-1-(3-chloropropyl)-7,9-dimethyl-3,4,10,11-tetraoxatricyclo[4.3.1.12,5]undecan-8-one
Other name (1)：
  • (3S,4S,5S,7R,8R,9R)-4-(3-Chloropropyl)-5,7-dimethyl-3,9:4,8-diepoxy-1,2-dioxonan-6-one
Thsaurus map：
Thesaurus Map

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