| SpectraBase Spectrum ID |
3DWsJhtbinE |
| Name |
(1R*,2S*,4R*)-5-(5,5-Dimethyl-1,3-dioxan-2-yl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23NO5 |
| InChI |
InChI=1S/C17H23NO5/c1-16(2)8-22-15(23-9-16)12-6-11-10(7-18)5-13(12)17(20-3,21-4)14(11)19/h6,10-11,13,15H,5,8-9H2,1-4H3/t10-,11-,13-/m1/s1 |
| InChIKey |
IYPCCGSDBKKAMV-NQBHXWOUSA-N |
| Molecular Weight |
321.373 g/mol |
| SMILES |
C1([C@]2(C(C3OCC(CO3)(C)C)=C[C@@](C1=O)([C@@](C#N)(C2)[H])[H])[H])(OC)OC |
| SPLASH |
splash10-0006-5490000000-714a26c4c73bc2a866ba |
| Source of Spectrum |
F-59-4043-3b |
| Wiley ID |
1712232 |
![(1R*,2S*,4R*)-5-(5,5-Dimethyl-1,3-dioxan-2-yl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide](/api/spectrum/3DWsJhtbinE/structure.png?h=300&w=458 "(1R*,2S*,4R*)-5-(5,5-Dimethyl-1,3-dioxan-2-yl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-yl cyanide")
