| SpectraBase Spectrum ID |
KrcKO8NV47J |
| Name |
Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-(acetyloxy)-6-iodo-, 3-methyl ester, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.beta.,6.alpha.)- |
| Alternate Name(s) |
(1R,2R,3R,4S,5R,6R)-5-(acetyloxy)-6-iodo-3-(methoxycarbonyl)bicyclo[2.2.2]octane-2-carboxylic acid
Acetate of endo-5-hydroxy-exo-6-iodo-endo-3-methoxycarbonylbicyclo[2.2.2]octane-endo-2-carboxylic acid |
| CAS Registry Number |
80060-62-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17IO6 |
| InChI |
InChI=1S/C13H17IO6/c1-5(15)20-11-7-4-3-6(10(11)14)8(12(16)17)9(7)13(18)19-2/h6-11H,3-4H2,1-2H3,(H,16,17)/t6-,7+,8+,9-,10-,11-/m1/s1 |
| InChIKey |
XJUDBLLMYHRVLD-FSKPYACHSA-N |
| Molecular Weight |
396.177 g/mol |
| SMILES |
OC([C@@]1([C@@]([C@]2([C@]([C@](I)([C@]1([H])CC2)[H])(OC(=O)C)[H])[H])(C(=O)OC)[H])[H])=O |
| SPLASH |
splash10-05pa-0495000000-92a30402f0c5957f9cb6 |
| Source of Spectrum |
B-34-1726-0 |
| Wiley ID |
1367212 |
![Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-(acetyloxy)-6-iodo-, 3-methyl ester, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.beta.,6.alpha.)-](/api/spectrum/KrcKO8NV47J/structure.png?h=300&w=458 "Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-(acetyloxy)-6-iodo-, 3-methyl ester, (1.alpha.,2.beta.,3.beta.,4.alpha.,5.beta.,6.alpha.)-")
