Chem
J-GLOBAL ID：200907090283695980   Nikkaji number：J1.954.679I

Schizanrin F

シザンリンF
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： C31H32O11
Molecular formula furigana： C31-H32-O11
Molecular weight： 580.586
InChI： InChI=1S/C31H32O11/c1-16(32)41-22-14-31(2,34)29(42-30(33)17-10-8-7-9-11-17)19-13-20(35-3)25(36-4)27(37-5)24(19)23-18(22)12-21-26(28(23)38-6)40-15-39-21/h7-13,22,29,34H,14-15H2,1-6H3/t22-,29+,31+/m1/s1
InChI key： CGBPTQKMQSSCGU-SHZFFEMHSA-N
SMILES： COc1cc2[C@H](OC(=O)c3ccccc3)[C@@](C)(O)C[C@@H](OC(=O)C)c3cc4OCOc4c(OC)c3c2c(OC)c1OC
Systematic name  (3)：
  • 安息香酸(5S)-1,2,3,12-テトラメトキシ-6α-メチル-6-ヒドロキシ-8β-アセトキシ-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-5α-イル
  • (8S,9S,11R)-11-(アセチルオキシ)-9-ヒドロキシ-3,4,5,19-テトラメトキシ-9-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
  • (8S,9S,11R)-11-(acetyloxy)-9-hydroxy-3,4,5,19-tetramethoxy-9-methyl-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)：
  • Benzoic acid (5S)-1,2,3,12-tetramethoxy-6α-methyl-6-hydroxy-8β-acetoxy-10,11-(methylenedioxy)-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene-5α-yl ester
  • シザンリンF
  • Schizanrin F
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