![(1S*,4R*,5S*,6S*,7R*,8R*)-5,6-Dihydroxy-8-hydroxymethyl-1,5,7-trimethylbicyclo[2.2.2]octan-2-one](/api/spectrum/203KihtMuW/structure.png?h=300&w=458 "(1S*,4R*,5S*,6S*,7R*,8R*)-5,6-Dihydroxy-8-hydroxymethyl-1,5,7-trimethylbicyclo[2.2.2]octan-2-one")
| SpectraBase Compound ID | 4dvD6RYjo5g |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-6-7(5-13)8-4-9(14)11(6,2)10(15)12(8,3)16/h6-8,10,13,15-16H,4-5H2,1-3H3/t6-,7-,8+,10+,11-,12+/m1/s1 |
| InChIKey | KNUWCLSJKSJSAH-JINUWDOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 203KihtMuW |
|---|---|
| Name | (1S*,4R*,5S*,6S*,7R*,8R*)-5,6-Dihydroxy-8-hydroxymethyl-1,5,7-trimethylbicyclo[2.2.2]octan-2-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-6-7(5-13)8-4-9(14)11(6,2)10(15)12(8,3)16/h6-8,10,13,15-16H,4-5H2,1-3H3/t6-,7-,8+,10+,11-,12+/m1/s1 |
| InChIKey | KNUWCLSJKSJSAH-JINUWDOYSA-N |
| Literature Reference DOI | 10.1021/ol702062p |
| Molecular Weight | 228.288 g/mol |
| SMILES | O[C@]1([C@]2(CC([C@]([C@@]1(O)[H])([C@@]([C@]2(CO)[H])(C)[H])C)=O)[H])C |
| SPLASH | splash10-01xa-3910000000-e2105b55e3d9f0ed79b8 |
| Source of Spectrum | A1-9-4563/SMS5-5 |
| Synonyms | (1S,4R,5S,6S,7R,8R)-5,6-dihydroxy-8-(hydroxymethyl)-1,5,7-trimethylbicyclo[2.2.2]octan-2-one (1R,2S,3S,4S,5R,6R)-2,3-dihydroxy-6-(hydroxymethyl)-2,4,5-trimethyl-8-bicyclo[2.2.2]octanone (1R,2S,3S,4S,5R,6R)-2,3-dihydroxy-6-(hydroxymethyl)-2,4,5-trimethylbicyclo[2.2.2]octan-8-one (1R,2S,3S,4S,5R,6R)-2,3-dihydroxy-6-(hydroxymethyl)-2,4,5-trimethyl-bicyclo[2.2.2]octan-8-one (1R,2S,3S,4S,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethyl-2,3-bis(oxidanyl)bicyclo[2.2.2]octan-8-one |
| Wiley ID | 1758721 |