Chem
J-GLOBAL ID：200907096495378850   Nikkaji number：J821.348H

Danshenol B

ダンシェノールB
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： C22H26O4
Molecular formula furigana： C22-H26-O4
Molecular weight： 354.446
InChI： InChI=1S/C22H26O4/c1-12-11-26-19-15-7-8-16-14(6-5-9-21(16,3)4)18(15)22(25,10-13(2)23)20(24)17(12)19/h7-8,12,25H,5-6,9-11H2,1-4H3/t12-,22-/m0/s1
InChI key： KZLPKGGMSDHTRS-YTEVENLXSA-N
SMILES： C[C@H]1COC2=C1C(=O)[C@](O)(CC(=O)C)c1c3CCCC(C)(C)c3ccc21
Systematic name  (4)：
  • 1β,6,6-トリメチル-10α-ヒドロキシ-10-(2-オキソプロピル)-1,2,6,7,8,9-ヘキサ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,6,6-トリメチル-1,2,6,7,8,9-ヘキサ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-1,6,6-トリメチル-10-(2-オキソプロピル)-1H,2H,6H,7H,8H,9H,10H,11H-フェナントロ[1,2-b]フラン-11-オン
  • (1R,10S)-10-hydroxy-1,6,6-trimethyl-10-(2-oxopropyl)-1H,2H,6H,7H,8H,9H,10H,11H-phenanthro[1,2-b]furan-11-one
Other name (4)：
  • ダンシェノールB
  • Danshenol B
  • 1β,6,6-Trimethyl-10α-hydroxy-10-(2-oxopropyl)-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-11(10H)-one
  • (1R)-10α-Hydroxy-10-(2-oxopropyl)-1β,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-11(10H)-one
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