| SpectraBase Spectrum ID |
8GNwJYF3iSm |
| Name |
Echinulin |
| CAS Registry Number |
1859-87-6 |
| Classification |
Neuroprotective activity |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
461.304227506 u |
| Formula |
C29H39N3O2 |
| InChI |
InChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1 |
| InChIKey |
DIKMWTRJIZQJMY-CYFREDJKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
461.650 g/mol |
| Nominal Mass |
461 u |
| Quality |
993 |
| Retention Index |
3598 |
| SMILES |
C=1(C=2C(NC1C(C=C)(C)C)=C(C=C(C2)CC=C(C)C)CC=C(C)C)C[C@]1(C(N[C@](C(N1)=O)(C)[H])=O)[H] |
| SPLASH |
splash10-001i-0149000000-059baafcf7ceb595f98a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3S,6S)-3-[[2-(1,1-Dimethyl-2-propen-1-yl)-5,7-bis(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-6-\rmethyl-2,5-piperazinedione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030784 |
