Chem
J-GLOBAL ID：200907013902519453   Nikkaji number：J2.352.215B

Nipponallene

ニッポナレン
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： C15H20Br2O2
Molecular formula furigana： C15-H20-BR2-O2
Molecular weight： 392.131
InChI： InChI=1S/C15H20Br2O2/c1-2-12(17)13-7-3-4-8-14-15(19-13)10-11(18-14)6-5-9-16/h3-4,6,9,11-15H,2,7-8,10H2,1H3/t5?,11-,12?,13+,14-,15-/m0/s1
InChI key： ZFUYDSOHVJVQNB-YLKNOGQFSA-N
SMILES： CCC(Br)[C@H]1CC=CC[C@@H]2O[C@H](C[C@@H]2O1)C=C=CBr
Systematic name  (3)：
  • (1β,8β)-3β-(1-ブロモプロピル)-10β-(3-ブロモプロパジエニル)-2,9-ジオキサビシクロ[6.3.0]ウンデカ-5-エン
  • (2R,3aS,5R,9aS)-2-(3-ブロモプロパ-1,2-ジエン-1-イル)-5-(1-ブロモプロピル)-2H,3H,3aH,5H,6H,9H,9aH-フロ[3,2-b]オキソシン
  • (2R,3aS,5R,9aS)-2-(3-bromopropa-1,2-dien-1-yl)-5-(1-bromopropyl)-2H,3H,3aH,5H,6H,9H,9aH-furo[3,2-b]oxocine
Other name (3)：
  • (1β,8β)-3β-(1-Bromopropyl)-10β-(3-bromopropadienyl)-2,9-dioxabicyclo[6.3.0]undeca-5-ene
  • ニッポナレン
  • Nipponallene
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