| SpectraBase Compound ID | 22QVd6c7QtW |
|---|---|
| InChI | InChI=1S/C21H29BrN2/c1-7-20(4,5)21-11-13-23(6)19(21)24(12-10-15(2)3)18-14-16(22)8-9-17(18)21/h7-10,14,19H,1,11-13H2,2-6H3/t19-,21-/m1/s1 |
| InChIKey | AJYIZQUARKFPEC-TZIWHRDSSA-N |
| Mol Weight | 389.38 g/mol |
| Molecular Formula | C21H29BrN2 |
| Exact Mass | 388.151412 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 55HyFbJX8q |
|---|---|
| Name | Flustramine A |
| Alternate Name(s) | rel-(3aR,8aR)-6-bromo-3a-(1,1-dimethylprop-2-en-1-yl)-1-methyl-8-(3-methylbut-2-en-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole (3aR,8bR)-6-bromo-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (3aR,8bR)-6-bromo-8b-(1,1-dimethylallyl)-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (3aR,8bR)-6-bromanyl-3-methyl-8b-(2-methylbut-3-en-2-yl)-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H29BrN2 |
| InChI | InChI=1S/C21H29BrN2/c1-7-20(4,5)21-11-13-23(6)19(21)24(12-10-15(2)3)18-14-16(22)8-9-17(18)21/h7-10,14,19H,1,11-13H2,2-6H3/t19-,21-/m1/s1 |
| InChIKey | AJYIZQUARKFPEC-TZIWHRDSSA-N |
| Molecular Weight | 389.381 g/mol |
| SMILES | [C@@]12(N(c3c([C@]2(C(C=C)(C)C)CCN1C)ccc(c3)Br)CC=C(C)C)[H] |
| SPLASH | splash10-0v4i-1189000000-eeaab6fe43815f43fa1c |
| Source of Spectrum | J-73-5963-1 |
| Wiley ID | 1668437 |