acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-5-hexyl-6-keto-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)-4-butyl-5-hexyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester](/api/compound/BOZkm1hBwPS.png?ph=true&h=300&w=458 "acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-5-hexyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester")
| SpectraBase Compound ID | BOZkm1hBwPS |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-4-6-8-9-11-19-18(10-7-5-2)20-16(13-23)12-17(14-26-15(3)24)21(20)22(19)25/h16-21,23H,4-14H2,1-3H3/t16-,17+,18-,19-,20+,21+/m0/s1 |
| InChIKey | KOVQJVUDAYYWNP-NXMWLWCLSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
| Enantiomer InChIKey | KOVQJVUDAYYWNP-ZPLOVTKXSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-4-butyl-6-keto-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
[4-Hydroxymethyl-2-pentyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate
[4-Hydroxymethyl-2,3-dibutyl-1-oxooctahydropentalen-6-yl]methyl acetate
VJAPZRKGKSGJFJ-XNIJUTNWSA-N
acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-6-keto-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
[4-Hydroxymethyl-2-propyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate
[6-Hydroxymethyl-2,3-dibutyl-1-oxooctahydropentalen-4-yl]methyl acetate
[6-Hydroxymethyl-2-propyl-3-butyl-1-oxooctahydropentalen-4-yl]methyl acetate
acetic acid [(1S,3R,3aS,4R,5R,6aS)-6-keto-4-methyl-3-methylol-5-phenyl-2,3,3a,4,5,6a-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 |