Bis(methylthio)gliotoxin
Bis(methylthio)gliotoxin Structure
Systematic / IUPAC Name: (3R,5aS,6S,10aR)-6-Hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-2,3,5a,6,10,10a-hexahydropyrazino[1,2-a]indole-1,4-dione
ID: Reference8018
Other Names:
BmGT;
(3R,5aS,6S,10aR)-6-Hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-1H,2H,3H,4H,5aH,6H,10H,10aH-piperazino[1,2-a]indole-1,4-dione ;
(3R,5aS,6S,10aR)-6-Hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-5aH,6H,10H-piperazino[1,2-a]indole-1,4-dione ;
S,S-Dimethyl gliotoxin;
Bisdethiobis(methylthio)gliotoxin
; more
Formula: C15H20N2O4S2
Spectral Data
Bis(methylthio)gliotoxin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 157 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/1/2018 6:38:09 AM |
Identificators
| InChI | InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1 |
| InChI Key | OVBAGMZLGLXSBN-UOVKNHIHSA-N |
| Canonical SMILES | CN1C(=O)C2(CC3=CC=CC(C3N2C(=O)C1(CO)SC)O)SC |
| CAS | |
| Splash | |
| Other Names |
BmGT; (3R,5aS,6S,10aR)-6-Hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-1H,2H,3H,4H,5aH,6H,10H,10aH-piperazino[1,2-a]indole-1,4-dione ; (3R,5aS,6S,10aR)-6-Hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-5aH,6H,10H-piperazino[1,2-a]indole-1,4-dione ; S,S-Dimethyl gliotoxin; Bisdethiobis(methylthio)gliotoxin; Dimethylgliotoxin; Pyrazino[1,2-a]indole-1,4-dione, 2,3,5a,6,10,10a-hexahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-, (3R,5aS,6S,10aR)- |
In Other Databases
| ChemSpider | 168817 |
| ChEMBL | CHEMBL1088981 |
| PubChem | 194564 |
| ChemIDPlus | 074149385 |