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
Compound with spectra: 1 NMR
![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](/api/compound/Gi7Xc6apPsI.png?ph=true&h=300&w=458 "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")
| SpectraBase Compound ID | Gi7Xc6apPsI |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-4-6-8-10-18-17(9-7-5-2)19-15(12-22)11-16(13-25-14(3)23)20(19)21(18)24/h15-20,22H,4-13H2,1-3H3/t15-,16+,17-,18-,19+,20+/m0/s1 |
| InChIKey | JHUUDWKUWLLHBR-GNVSMLMZSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
| Enantiomer InChIKey | JHUUDWKUWLLHBR-FZWBFHRNSA-N |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
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
[4-Hydroxymethyl-2-hexyl-3-butyl-1-oxooctahydropentalen-6-yl]methyl acetate
VJAPZRKGKSGJFJ-XNIJUTNWSA-N
[4-Hydroxymethyl-2,3-dibutyl-1-oxooctahydropentalen-6-yl]methyl acetate
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
(2R,3R,3aS,4R,6S,6aS)-3-butyl-4,6-dimethylol-2-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 |