Chem
J-GLOBAL ID：201307096154666222   Nikkaji number：J3.134.344E

Bisdethiobis(methylthio)acetylgliotoxin

ビスデチオビス(メチルチオ)アセチルグリオトキシン
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： C17H22N2O5S2
Molecular formula furigana： C17-H22-N2-O5-S2
Molecular weight： 398.490
InChI： InChI=1S/C17H22N2O5S2/c1-10(21)24-12-7-5-6-11-8-16(25-3)14(22)18(2)17(9-20,26-4)15(23)19(16)13(11)12/h5-7,12-13,20H,8-9H2,1-4H3/t12-,13-,16+,17+/m0/s1
InChI key： VXWHYQLJXLMKDT-WRFANHODSA-N
SMILES： CS[C@@]12CC3=CC=C[C@H](OC(=O)C)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O
Systematic name  (3)：
  • (3R)-6β-アセトキシ-2,3,5aβ,6,10,10a-ヘキサヒドロ-3-(ヒドロキシメチル)-2-メチル-3α,10aα-ビス(メチルチオ)ピラジノ[1,2-a]インドール-1,4-ジオン
  • (3R,5aS,6S,10aR)-3-(ヒドロキシメチル)-2-メチル-3,10a-ビス(メチルスルファニル)-1,4-ジオキソ-1H,2H,3H,4H,5aH,6H,10H,10aH-ピラジノ[1,2-a]インドール-6-イル アセタート
  • (3R,5aS,6S,10aR)-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-1,4-dioxo-1H,2H,3H,4H,5aH,6H,10H,10aH-pyrazino[1,2-a]indol-6-yl acetate
Other name (3)：
  • (3R)-6β-Acetoxy-2,3,5aβ,6,10,10a-hexahydro-3-(hydroxymethyl)-2-methyl-3α,10aα-bis(methylthio)pyrazino[1,2-a]indole-1,4-dione
  • ビスデチオビス(メチルチオ)アセチルグリオトキシン
  • Bisdethiobis(methylthio)acetylgliotoxin
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