| SpectraBase Spectrum ID |
AjmPx4JMI8f |
| Name |
8a-O-Methylagelastatin A |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15BrN4O3 |
| InChI |
InChI=1S/C13H15BrN4O3/c1-17-12(20)16-10-9-7(5-13(10,17)21-2)18-6(11(19)15-9)3-4-8(18)14/h3-4,7,9-10H,5H2,1-2H3,(H,15,19)(H,16,20)/t7-,9-,10+,13+/m1/s1 |
| InChIKey |
UWPJTBJKXNLTOH-PZWLIILKSA-N |
| Molecular Weight |
355.192 g/mol |
| SMILES |
N1C(c2[n]([C@@]3(C[C@@]4([C@]([C@]13[H])(NC(N4C)=O)[H])OC)[H])c(cc2)Br)=O |
| SPLASH |
splash10-01t9-7096000000-e59425b045eab31c4dac |
| Source of Spectrum |
H-77-1901-6 |
| Synonyms |
(5aS,5bS,8aS,9aR)-1-bromo-8a-methoxy-8-methyl-5,5a,5b,6,8,8a,9,9a-octahydroimidazo[4',5':4,5]cyclopenta[1,2-e]pyrrolo[1,2-a]pyrazine-4,7-dione |
| Wiley ID |
1344240 |
