| SpectraBase Spectrum ID |
6pMzYajXw9H |
| Name |
Ferriaspergillin |
| CAS Registry Number |
77423-90-6 |
| Comments |
Note: The molecular formula of the structure shown is C36H60FeN6O6 - which differs from the formula reported for the mass spectrum (C36H57FeN6O6) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H57FeN6O6 |
| InChI |
InChI=1S/3C12H20N2O2.Fe/c3*1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16;/h3*7-9,16H,5-6H2,1-4H3; |
| InChIKey |
XVNFJWGPXSDMIF-UHFFFAOYSA-N |
| Molecular Weight |
728.757 g/mol |
| SMILES |
ON1C(C(=NC=C1C(CC)C)CC(C)C)=O.[Fe].ON1C(C(=NC=C1C(CC)C)CC(C)C)=O.ON1C(C(=NC=C1C(CC)C)CC(C)C)=O |
| SPLASH |
splash10-0a4i-0090642200-4c9100dd47903f1f0204 |
| Source of Spectrum |
W5-1989-33889-31647 |
| Synonyms |
6-Butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-one; iron
6-Butan-2-yl-1-hydroxy-3-(2-methylpropyl)-2-pyrazinone;iron
6-Butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-one;iron
6-Butan-2-yl-3-(2-methylpropyl)-1-oxidanyl-pyrazin-2-one;iron |
| Wiley ID |
1415775 |
