| SpectraBase Spectrum ID |
8LlSPiri7AL |
| Name |
(1RS,2RS,3SR,4RS,5SR)-3-ethoxycarbonyl-5-hydroxy-7-isopropyl-5-methyl-6-oxobicyclo[2.2.2]-7-ene-2-carboxylic acid |
| Alternate Name(s) |
3-(ethoxycarbonyl)-8-hydroxy-6-isopropyl-8-methyl-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylic acid |
| CAS Registry Number |
113105-42-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22O6 |
| InChI |
InChI=1S/C16H22O6/c1-5-22-15(20)11-9-6-8(7(2)3)10(12(11)14(18)19)13(17)16(9,4)21/h6-7,9-12,21H,5H2,1-4H3,(H,18,19)/t9-,10+,11+,12+,16+/m1/s1 |
| InChIKey |
BEQCLFVSWKKUOM-VZTWBHMWSA-N |
| Molecular Weight |
310.346 g/mol |
| SMILES |
OC([C@@]1([C@]([C@]2(C=C([C@@]1(C([C@]2(O)C)=O)[H])C(C)C)[H])(C(=O)OCC)[H])[H])=O |
| SPLASH |
splash10-0006-9400000000-71710be758f217c75fcf |
| Source of Spectrum |
B-40-338-8 |
| Wiley ID |
1311412 |
![(1RS,2RS,3SR,4RS,5SR)-3-ethoxycarbonyl-5-hydroxy-7-isopropyl-5-methyl-6-oxobicyclo[2.2.2]-7-ene-2-carboxylic acid](/api/spectrum/8LlSPiri7AL/structure.png?h=300&w=458 "(1RS,2RS,3SR,4RS,5SR)-3-ethoxycarbonyl-5-hydroxy-7-isopropyl-5-methyl-6-oxobicyclo[2.2.2]-7-ene-2-carboxylic acid")
