acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-6-keto-4-methyl-3-methylol-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-amyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester](/api/compound/B9tYESmkguY.png?ph=true&h=300&w=458 "acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester")
| SpectraBase Compound ID | B9tYESmkguY |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-5-6-7-15-11(2)16-13(9-19)8-14(10-22-12(3)20)17(16)18(15)21/h11,13-17,19H,4-10H2,1-3H3/t11-,13-,14+,15-,16-,17+/m0/s1 |
| InChIKey | DSPZOYGKHWDJBA-MNMQIZOCSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
| Enantiomer InChIKey | DSPZOYGKHWDJBA-OOSGDVBISA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
[4-Hydroxymethyl-2-hexyl-3-methyl-1-oxooctahydropentalen-6-yl]methyl acetate
acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-hexyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-butyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
[4-Hydroxymethyl-2-butyl-3-methyl-1-oxooctahydropentalen-6-yl]methyl acetate
acetic acid [(1S,3R,3aS,4R,5S,6aS)-6-keto-4-methyl-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
[4-Hydroxymethyl-2-propyl-3-methyl-1-oxooctahydropentalen-6-yl]methyl acetate
[6-Hydroxymethyl-2-pentyl-3-methyl-1-oxooctahydropentalen-4-yl]methyl acetate
[6-Hydroxymethyl-2-butyl-3-methyl-1-oxooctahydropentalen-4-yl]methyl acetate
acetic acid [(1R,3S,3aS,5S,6R,6aS)-4-keto-6-methyl-3-methylol-5-propyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]methyl ester
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of Highly Functionalized Pentalenes via IntermolecularPauson–Khand Reaction | European Journal of Organic Chemistry | 2006 |