| SpectraBase Spectrum ID |
4xgisXLK94g |
| Name |
Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid, 7-hydroxy-7-methyl-5-(1-methylethyl)-8-oxo-, diethyl ester, (1.alpha.,2.beta.,3.beta.,4.a lpha.,7S*)-(.+-.)- |
| CAS Registry Number |
113105-40-1 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H26O6 |
| InChI |
InChI=1S/C18H26O6/c1-6-23-16(20)13-11-8-10(9(3)4)12(15(19)18(11,5)22)14(13)17(21)24-7-2/h8-9,11-14,22H,6-7H2,1-5H3/t11-,12+,13+,14-,18-/m0/s1 |
| InChIKey |
BTCNWBBUJNRGNW-OSHGBCRDSA-N |
| Molecular Weight |
338.400 g/mol |
| SMILES |
O[C@@]1(C([C@@]2(C(=C[C@]1([C@]([C@]2(C(=O)OCC)[H])(C(=O)OCC)[H])[H])C(C)C)[H])=O)C |
| SPLASH |
splash10-002f-9810000000-c15380ef7055177fca1b |
| Source of Spectrum |
B-40-338-8 |
| Synonyms |
Diethyl (1R,2R,3S,4S,7S)-7-hydroxy-5-isopropyl-7-methyl-8-oxobicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
Diethyl (1RS,2SR,3RS,4RS,6SR)-6-hydroxy-8-isopropyl-6-methyl-5-oxobicyclo[2.2.2]oct-7-ene-2,3-dicarboxylate |
| Wiley ID |
1333670 |
![Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid, 7-hydroxy-7-methyl-5-(1-methylethyl)-8-oxo-, diethyl ester, (1.alpha.,2.beta.,3.beta.,4.a lpha.,7S*)-(.+-.)-](/api/spectrum/4xgisXLK94g/structure.png?h=300&w=458 "Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid, 7-hydroxy-7-methyl-5-(1-methylethyl)-8-oxo-, diethyl ester, (1.alpha.,2.beta.,3.beta.,4.a lpha.,7S*)-(.+-.)-")
