Chem
J-GLOBAL ID：200907061384644359   Nikkaji number：J821.347J

Danshenol A

ダンシェノールA
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： C21H20O4
Molecular formula furigana： C21-H20-O4
Molecular weight： 336.387
InChI： InChI=1S/C21H20O4/c1-11-5-4-6-15-14(11)7-8-16-18(15)21(24,9-13(3)22)20(23)17-12(2)10-25-19(16)17/h4-8,12,24H,9-10H2,1-3H3/t12-,21-/m0/s1
InChI key： WQYKPUPMMFGHQW-QKVFXAPYSA-N
SMILES： C[C@H]1COC2=C1C(=O)[C@](O)(CC(=O)C)c1c2ccc2c(C)cccc12
Systematic name  (4)：
  • 1β,6-ジメチル-10α-ヒドロキシ-10-(2-オキソプロピル)-1,2-ジヒドロフェナントロ[1,2-b]フラン-11(10H)-オン
  • (1R)-10α-ヒドロキシ-10-(2-オキソプロピル)-1β,6-ジメチル-1,2-ジヒドロフェナントロ[1,2-b]フラン-11(10H)-オン
  • (1R,10S)-10-ヒドロキシ-1,6-ジメチル-10-(2-オキソプロピル)-1H,2H,10H,11H-フェナントロ[1,2-b]フラン-11-オン
  • (1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1H,2H,10H,11H-phenanthro[1,2-b]furan-11-one
Other name (4)：
  • ダンシェノールA
  • Danshenol A
  • 1β,6-Dimethyl-10α-hydroxy-10-(2-oxopropyl)-1,2-dihydrophenanthro[1,2-b]furan-11(10H)-one
  • (1R)-10α-Hydroxy-10-(2-oxopropyl)-1β,6-dimethyl-1,2-dihydrophenanthro[1,2-b]furan-11(10H)-one
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