99891-77-7
99891-77-7 structure
- Name: Isoboonein acetate
- Chemical Name: (4aR,6S,7R,7aS)-7-Methyl-3-oxooctahydrocyclopenta[c]pyran-6-yl ac etate
- CAS Number: 99891-77-7
- Molecular Formula: C11H16O4
- Molecular Weight: 212.242
- Catalog: Natural product Iridoid derivative
- Create Date: 2017-12-07 23:35:17
- Modify Date: 2025-08-25 19:20:43
| Name | (4aR,6S,7R,7aS)-7-Methyl-3-oxooctahydrocyclopenta[c]pyran-6-yl ac etate |
|---|---|
| Synonyms |
Cyclopenta[c]pyran-3(1H)-one, 6-(acetyloxy)hexahydro-7-methyl-, (4aR,6S,7R,7aS)-
(4aR,6S,7R,7aS)-7-Methyl-3-oxooctahydrocyclopenta[c]pyran-6-yl acetate |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 336.4±35.0 °C at 760 mmHg |
| Molecular Formula | C11H16O4 |
| Molecular Weight | 212.242 |
| Flash Point | 169.0±24.4 °C |
| Exact Mass | 212.104858 |
| PSA | 52.60000 |
| LogP | 0.46 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.489 |
| Hazard Codes | Xi |
|---|
| Precursor 7 | |
|---|---|
| DownStream 0 | |
![[(1S,2S,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol structure](https://image.chemsrc.com/caspic/478/78037-77-1.png)
![4-hydroxymethyl-7-oxatricyclo[3.2.1.13,8]nonan-2-ol structure](https://image.chemsrc.com/caspic/026/188441-94-3.png)
![4aR,7S,7aS-tetrahydro-6-oxo-7-(tert-butyldimethylsilyloxymethyl)cyclopenta[c]pyran-3(1H)-one structure](https://image.chemsrc.com/caspic/233/214895-67-7.png)
![4-tert-butyldimethylsilyloxymethyl-7-oxatricyclo[3.2.1.13,8]nonan-2-one structure](https://image.chemsrc.com/caspic/450/215055-20-2.png)
![4aR,6R,7S,7aS-tetrahydro-6-hydroxy-7-(tert-butyldimethylsilyloxymethyl)cyclopenta[c]pyran-3(1H)-one structure](https://image.chemsrc.com/caspic/271/214895-66-6.png)
