| SpectraBase Spectrum ID |
109Ip19AxmM |
| Name |
PiBOCin B |
| Alternate Name(s) |
(6aR,9R,10aR)-5-bromanyl-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21BrN2O |
| InChI |
InChI=1S/C17H21BrN2O/c1-10-7-12-11-5-4-6-14-16(11)13(17(18)20(14)21-3)8-15(12)19(2)9-10/h4-6,10,12,15H,7-9H2,1-3H3/t10-,12-,15-/m1/s1 |
| InChIKey |
ZCNGIHGSYMIIIR-IXPVHAAZSA-N |
| Molecular Weight |
349.272 g/mol |
| SMILES |
c12c([n](OC)c3c2c(ccc3)[C@@]2([C@@](C1)(N(C[C@](C)(C2)[H])C)[H])[H])Br |
| SPLASH |
splash10-014i-3219000000-841b80e667659730088d |
| Source of Spectrum |
G4-64-1560-1 |
| Wiley ID |
1609333 |
