Chem
J-GLOBAL ID：200907085653740919   Nikkaji number：J2.341.215B

Kadsuralignan A

カドスラリグナン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： C22H26O6
Molecular formula furigana： C22-H26-O6
Molecular weight： 386.444
InChI： InChI=1S/C22H26O6/c1-11-8-13-6-7-15(24-3)20(25-4)17(13)18-14(19(23)12(11)2)9-16-21(22(18)26-5)28-10-27-16/h6-7,9,11-12,19,23H,8,10H2,1-5H3/t11-,12+,19+/m0/s1
InChI key： RSWJPFBUHCATCW-AVCJSFLBSA-N
SMILES： COc1ccc2C[C@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3c2c1OC
Systematic name  (3)：
  • (6S)-1,2,12-トリメトキシ-6α,7β-ジメチル-8β-ヒドロキシ-10,11-(メチレンジオキシ)-5,6,7,8-テトラヒドロジベンゾ[a,c]シクロオクテン
  • (9S,10R,11R)-3,4,19-トリメトキシ-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),2,4,6,12,14(18)-ヘキサエン-11-オール
  • (9S,10R,11R)-3,4,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-ol
Other name (3)：
  • (6S)-1,2,12-Trimethoxy-6α,7β-dimethyl-8β-hydroxy-10,11-(methylenedioxy)-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene
  • カドスラリグナンA
  • Kadsuralignan A
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