1380399-57-4
1380399-57-4 structure
- Name: Valeriandoid B
- Chemical Name: (1S,6S,7S,7aS)-4-(acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,6,7,7a-tetrahydrocyclopenta[c]pyran-6-yl 3-acetoxy-3-methylbutanoate
- CAS Number: 1380399-57-4
- Molecular Formula: C24H33ClO10
- Molecular Weight: 516.966
- Catalog: Natural product Iridoid derivative
- Create Date: 2018-06-17 11:47:50
- Modify Date: 2024-04-05 23:35:23
| Name | (1S,6S,7S,7aS)-4-(acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1-((3-methylbutanoyl)oxy)-1,6,7,7a-tetrahydrocyclopenta[c]pyran-6-yl 3-acetoxy-3-methylbutanoate |
|---|---|
| Synonyms |
Butanoic acid, 3-(acetyloxy)-3-methyl-, (1S,6S,7S,7aS)-4-[(acetyloxy)methyl]-7-(chloromethyl)-1,6,7,7a-tetrahydro-7-hydroxy-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-6-yl ester
(1S,6S,7S,7aS)-4-(Acetoxymethyl)-7-(chloromethyl)-7-hydroxy-1-[(3-methylbutanoyl)oxy]-1,6,7,7a-tetrahydrocyclopenta[c]pyran-6-yl 3-acetoxy-3-methylbutanoate |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 562.9±50.0 °C at 760 mmHg |
| Molecular Formula | C24H33ClO10 |
| Molecular Weight | 516.966 |
| Flash Point | 294.2±30.1 °C |
| Exact Mass | 516.176208 |
| PSA | 134.66000 |
| LogP | 2.01 |
| Vapour Pressure | 0.0±3.5 mmHg at 25°C |
| Index of Refraction | 1.531 |
| Hazard Codes | Xi |
|---|