Chem
J-GLOBAL ID：200907055838211576   Nikkaji number：J1.954.681K

Schizanrin H

シザンリンH
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： C33H38O13
Molecular formula furigana： C33-H38-O13
Molecular weight： 642.654
InChI： InChI=1S/C33H38O13/c1-18(34)45-23-16-31(2,36)28(46-30(35)19-12-10-9-11-13-19)20-14-22(37-3)26(38-4)27(39-5)24(20)25-21(23)15-32(41-7)33(42-8,29(25)40-6)44-17-43-32/h9-15,23,28,36H,16-17H2,1-8H3/t23-,28+,31+,32?,33?/m1/s1
InChI key： KAEUWCKCMZRQHR-RBOWSRSTSA-N
SMILES： COC1=C2C(=CC3(OC)OCOC13OC)[C@@H](C[C@](C)(O)[C@@H](OC(=O)c1ccccc1)c1cc(OC)c(OC)c(OC)c21)OC(=O)C
Systematic name  (3)：
  • 安息香酸(5S)-1,2,3,10,11,12-ヘキサメトキシ-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-3,4,5,14,18,19-ヘキサメトキシ-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),2,4,6,12-ペンタエン-8-イル ベンゾアート
  • (8S,9S,11R)-11-(acetyloxy)-9-hydroxy-3,4,5,14,18,19-hexamethoxy-9-methyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12-pentaen-8-yl benzoate
Other name (3)：
  • Benzoic acid (5S)-1,2,3,10,11,12-hexamethoxy-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H
  • Schizanrin H
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