acetic acid [(1S,3R,3aS,4R,5R,6aS)-4-butyl-6-keto-3-methylol-5-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,5R,6aS)-4-butyl-6-keto-3-methylol-5-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester](/api/compound/ATKCgmlF54e.png?ph=true&h=300&w=458 "acetic acid [(1S,3R,3aS,4R,5R,6aS)-4-butyl-6-keto-3-methylol-5-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester")
| SpectraBase Compound ID | ATKCgmlF54e |
|---|---|
| InChI | InChI=1S/C22H30O4/c1-3-4-10-18-19-16(12-23)11-17(13-26-14(2)24)21(19)22(25)20(18)15-8-6-5-7-9-15/h5-9,16-21,23H,3-4,10-13H2,1-2H3/t16-,17+,18+,19+,20-,21+/m0/s1 |
| InChIKey | QNUGTUBYTQAEIF-LDIYZUBKSA-N |
| Mol Weight | 358.48 g/mol |
| Molecular Formula | C22H30O4 |
| Exact Mass | 358.214409 g/mol |
| Enantiomer InChIKey | QNUGTUBYTQAEIF-RDWCLUPISA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
[6-Hydroxymethyl-3-butyl-2-phenyl-1-oxooctahydropentalen-4-yl]methyl acetate
[4-Hydroxymethyl-2-propyl-3-phenyl-1-oxooctahydropentalen-6-yl]methyl acetate
Tricyclo[4.2.1.0(2,5)]non-7-en-3-one, 4-[phenyl[(trimethylsilyl)oxy]methyl]-
1,3-cyclohexanedicarboxylic acid, 2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxo-, dimethyl ester
Isoquinoline-7,8-dicarboxylic acid, perhydro-6-phenyl-, dimethyl ester
(1R,2S,4R,5S,6S,7S)-5-(8-tert-Butyldimethylsilyloxyoctyl)-3-oxo-4-(2-pentynyl)tricyclo[5.2.1.0(2,6)]dec-8-ene
exo-13-Hydroxy-pentacyclo(7.4.0.0/2,8/.0/3,12/.0/7,11/)tridecan-10-one
(+/-)-2-EXO-BROMO-3-ENDO-METHOXY-7-ENDO-PHENYL-7-EXO-CHLOROBICYCLO-[3.2.0]-HEPT-6-ONE
cis,exo-1,2,3,4,4a,13b-Hexahydro-1,4-methano-7-chloro-9H-tribenzo[b,f]azepine
| Title | Journal or Book | Year |
|---|---|---|
| Synthesis of Highly Functionalized Pentalenes via IntermolecularPauson–Khand Reaction | European Journal of Organic Chemistry | 2006 |