Chem
J-GLOBAL ID:200907048401907451   Nikkaji number:J1.956.893H

(4aS)-4aβ,6,9,9aα-Tetrahydro-2H-pyrano[3,2-b]oxepin-2-one

(4aS,9aR)-2H,4aH,6H,9H,9aH-ピラノ[3,2-b]オキセピン-2-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: C9H10O3
Molecular formula furigana: C9-H10-O3
Molecular weight: 166.176
InChI: InChI=1S/C9H10O3/c10-9-5-4-7-8(12-9)3-1-2-6-11-7/h1-2,4-5,7-8H,3,6H2/t7-,8+/m0/s1
InChI key: ORUBXFSBECAFBW-JGVFFNPUSA-N
SMILES: O=C1O[C@@H]2CC=CCO[C@H]2C=C1
Systematic name  (3):
  • (4aS)-4aβ,6,9,9aα-テトラヒドロ-2H-ピラノ[3,2-b]オキセピン-2-オン
  • (4aS,9aR)-2H,4aH,6H,9H,9aH-ピラノ[3,2-b]オキセピン-2-オン
  • (4aS,9aR)-2H,4aH,6H,9H,9aH-pyrano[3,2-b]oxepin-2-one
Other name (1):
  • (4aS)-4aβ,6,9,9aα-Tetrahydro-2H-pyrano[3,2-b]oxepin-2-one
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