Chem
J-GLOBAL ID:200907067131093427   Nikkaji number:J2.770.069A

Broussin

ブルッシン
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: C16H16O3
Molecular formula furigana: C16-H16-O3
Molecular weight: 256.301
InChI: InChI=1S/C16H16O3/c1-18-14-7-3-11(4-8-14)15-9-5-12-2-6-13(17)10-16(12)19-15/h2-4,6-8,10,15,17H,5,9H2,1H3/t15-/m0/s1
InChI key: JTPMXGZHRQYFTB-HNNXBMFYSA-N
SMILES: COc1ccc(cc1)[C@@H]1CCc2ccc(O)cc2O1
Systematic name  (3):
  • (2S)-3,4-ジヒドロ-2-(4-メトキシフェニル)-2H-1-ベンゾピラン-7-オール
  • (2S)-2-(4-メトキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-7-オール
  • (2S)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Other name (5):
  • (2S)-3,4-Dihydro-2-(4-methoxyphenyl)-2H-1-benzopyran-7-ol
  • Broussin
  • ブルッシン
  • 7-Hydroxy-4′-methoxyflavan
  • 7-ヒドロキシ-4′-メトキシフラバン
CAS registry number: 76045-50-6
KEGG COMPOUND: C09505
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