1H-3,6a-Methanocyclopent[c]oxocin-4-carboxylic acid, 7-(1,5-dimethylhexyl)octahydro-, methyl ester, [3R-[3.alpha.,4.beta.,6a.alpha.,7.beta.(R*),9a.beta.]]-
Compound with spectra: 1 MS (GC)
![1H-3,6a-Methanocyclopent[c]oxocin-4-carboxylic acid, 7-(1,5-dimethylhexyl)octahydro-, methyl ester, [3R-[3.alpha.,4.beta.,6a.alpha.,7.beta.(R*),9a.beta.]]-](/api/compound/KK4WzE5Oc4e.png?ph=true&h=300&w=458 "1H-3,6a-Methanocyclopent[c]oxocin-4-carboxylic acid, 7-(1,5-dimethylhexyl)octahydro-, methyl ester, [3R-[3.alpha.,4.beta.,6a.alpha.,7.beta.(R*),9a.beta.]]-")
| SpectraBase Compound ID | KK4WzE5Oc4e |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-14(2)6-5-7-15(3)18-9-8-16-13-24-19-12-21(16,18)11-10-17(19)20(22)23-4/h14-19H,5-13H2,1-4H3/t15?,16-,17+,18+,19+,21+/m1/s1 |
| InChIKey | KZRNRWCIWQGZEB-HJJRWKOGSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
| Enantiomer InChIKey | KZRNRWCIWQGZEB-KTEZGCHZSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | B-39-2118-14 |
- Methyl (1R,2S,5S,8R,9S)-2-(1,5-dimethylhexyl)-7-oxatricyclo[6.3.1.0(1,5)]dodecane-9-carboxylate
- 4-Methoxycarbonyl-10-(1,5-dimethyl-hexyl)-12-oxa-tricyclo[6.3.1(1,5).0(1,7)]dodecane