| SpectraBase Spectrum ID |
rDCtrmSjw |
| Name |
Ergometrin 2TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
469.258080576 u |
| Formula |
C25H39N3O2Si2 |
| InChI |
InChI=1S/C25H39N3O2Si2/c1-17(16-30-32(6,7)8)26-25(29)19-12-21-20-10-9-11-22-24(20)18(13-23(21)27(2)14-19)15-28(22)31(3,4)5/h9-12,15,17,19,23H,13-14,16H2,1-8H3,(H,26,29)/t17?,19-,23-/m1/s1 |
| InChIKey |
GXJLGCPXVKUXCM-PGGHUXMYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
469.776 g/mol |
| Nominal Mass |
469 u |
| Quality |
979 |
| Retention Index |
3727 |
| SMILES |
[C@]12(C(C3=C4C(C2)=CN(C4=CC=C3)[Si](C)(C)C)=C[C@@](C(NC(CO[Si](C)(C)C)C)=O)(CN1C)[H])[H] |
| SPLASH |
splash10-01dl-3190300000-1b921849bf4d7ce420ba |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ergobasine 2TMS
Ergovine 2TMS
(6aR,9R)-7-methyl-4-(trimethylsilyl)-N-(1-((trimethylsilyl)oxy)propan-2-yl)-4,6,6a,7,8,9-\rhexahydroindolo[4,3-fg]quinoline-9-carboxamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013758 |
