acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-butyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound with spectra: 1 NMR
![acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-butyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester](/api/compound/1V40fcNn71O.png?ph=true&h=300&w=458 "acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-butyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester")
| SpectraBase Compound ID | 1V40fcNn71O |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-3-4-10-18-19(15-8-6-5-7-9-15)20-16(12-23)11-17(13-26-14(2)24)21(20)22(18)25/h5-9,16-21,23H,3-4,10-13H2,1-2H3/t16-,17+,18-,19-,20+,21+/m0/s1 |
| InChIKey | MMEFXLMWCUBEKU-NXMWLWCLSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
| Enantiomer InChIKey | MMEFXLMWCUBEKU-ZPLOVTKXSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
[4-Hydroxymethyl-2-hexyl-3-phenyl-1-oxooctahydropentalen-6-yl]methyl acetate
acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-hexyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
[4-Hydroxymethyl-2-propyl-3-phenyl-1-oxooctahydropentalen-6-yl]methyl acetate
acetic acid [(1S,3R,3aS,4R,5S,6aS)-6-keto-3-methylol-4-phenyl-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
[6-Hydroxymethyl-2-butyl-3-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
[6-Hydroxymethyl-2-pentyl-3-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
[6-Hydroxymethyl-2-hexyl-3-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
[6-Hydroxymethyl-2-propyl-3-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
(2R,3R,3aS,4R,6S,6aS)-4,6-dimethylol-2,3-di(phenyl)-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of Highly Functionalized Pentalenes via IntermolecularPauson–Khand Reaction | European Journal of Organic Chemistry | 2006 |