Chem
J-GLOBAL ID:200907004928838647   Nikkaji number:J1.178.044J

3β-Hydroxy-8-methyl-9-chloro-3,4-dihydro-2H,10H-pyrano[2,3-g]-1,5-benzodioxepin-10-one

(3S)-9-クロロ-3-ヒドロキシ-8-メチル-2H,3H,4H,10H-[1,4]ジオキセピノ[2,3-h]クロメン-10-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: C13H11ClO5
Molecular formula furigana: C13-H11-CL-O5
Molecular weight: 282.680
InChI: InChI=1S/C13H11ClO5/c1-6-8-2-3-9-12(18-5-7(15)4-17-9)11(8)19-13(16)10(6)14/h2-3,7,15H,4-5H2,1H3/t7-/m0/s1
InChI key: BRVFHIPTKWEQCR-ZETCQYMHSA-N
SMILES: Cc1c(Cl)c(=O)oc2c3OC[C@@H](O)COc3ccc12
Systematic name  (3):
  • 3β-ヒドロキシ-8-メチル-9-クロロ-3,4-ジヒドロ-2H,10H-ピラノ[2,3-g]-1,5-ベンゾジオキセピン-10-オン
  • (3S)-9-クロロ-3-ヒドロキシ-8-メチル-2H,3H,4H,10H-[1,4]ジオキセピノ[2,3-h]クロメン-10-オン
  • (3S)-9-chloro-3-hydroxy-8-methyl-2H,3H,4H,10H-[1,4]dioxepino[2,3-h]chromen-10-one
Other name (1):
  • 3β-Hydroxy-8-methyl-9-chloro-3,4-dihydro-2H,10H-pyrano[2,3-g]-1,5-benzodioxepin-10-one
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