Chem
J-GLOBAL ID：200907062784382791   Nikkaji number：J2.230.783E

Schisantherin

シサンテリン
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： C30H32O9
Molecular formula furigana： C30-H32-O9
Molecular weight： 536.577
InChI： InChI=1S/C30H32O9/c1-16-12-18-13-21-25(38-15-37-21)26(35-5)22(18)23-19(14-20(33-3)24(34-4)27(23)36-6)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28?,30-/m1/s1
InChI key： UFCGDBKFOKKVAC-DNYDYUHISA-N
SMILES： COc1cc2C(OC(=O)c3ccccc3)[C@](C)(O)[C@H](C)Cc3cc4OCOc4c(OC)c3c2c(OC)c1OC
Systematic name  (3)：
  • (6R)-1,10,11,12-テトラメトキシ-2,3-(メチレンビスオキシ)-6β,7-ジメチル-8-(ベンゾイルオキシ)-5,6,7,8-テトラヒドロジベンゾ[a,c]シクロオクテン-7β-オール
  • (9R,10R)-9-ヒドロキシ-3,4,5,19-テトラメトキシ-9,10-ジメチル-15,17-ジオキサテトラシクロ[10.7.0.02,7.014,18]ノナデカ-1(19),2(7),3,5,12,14(18)-ヘキサエン-8-イル ベンゾアート
  • (9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2(7),3,5,12,14(18)-hexaen-8-yl benzoate
Other name (3)：
  • (6R)-1,10,11,12-Tetramethoxy-2,3-(methylenebisoxy)-6β,7-dimethyl-8-(benzoyloxy)-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene-7β-ol
  • シサンテリン
  • Schisantherin
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