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
Compound with spectra: 1 NMR
![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](/api/compound/JJ4RTT3HDnr.png?ph=true&h=300&w=458 "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")
| SpectraBase Compound ID | JJ4RTT3HDnr |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-4-5-13-9(2)14-11(7-17)6-12(8-20-10(3)18)15(14)16(13)19/h9,11-15,17H,4-8H2,1-3H3/t9-,11-,12+,13-,14-,15+/m0/s1 |
| InChIKey | NUBNADDICMKYRZ-ILHQOTHWSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 g/mol |
| Enantiomer InChIKey | NUBNADDICMKYRZ-UKHFBKCJSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
[4-Hydroxymethyl-2-butyl-3-methyl-1-oxooctahydropentalen-6-yl]methyl acetate
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-hexyl-3-methyl-1-oxooctahydropentalen-6-yl]methyl acetate
[6-Hydroxymethyl-2-propyl-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
[6-Hydroxymethyl-2-pentyl-3-methyl-1-oxooctahydropentalen-4-yl]methyl acetate
4,6-Bis(hydroxymethyl)-3-butyl-2-propylhexahydropentalen-1(2H)-one
4,6-Bis(hydroxymethyl)-2,3-dibutylhexahydropentalen-1(2H)-one
(2S,3R,3aS,4R,6S,6aS)-2,3-dibutyl-4,6-dimethylol-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 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.