114586-21-9
114586-21-9 structure
- Name: bruceanol C
- Chemical Name: Methyl (1β,8ξ,11β,12α,15β)-15-[(3E)-5-acetoxy-4,5-dimethyl-2-oxo-3-hexenoyl]-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
- CAS Number: 114586-21-9
- Molecular Formula: C31H38O13
- Molecular Weight: 618.62600
- Create Date: 2017-08-01 19:26:31
- Modify Date: 2025-08-25 09:08:54
| Name | Methyl (1β,8ξ,11β,12α,15β)-15-[(3E)-5-acetoxy-4,5-dimethyl-2-oxo-3-hexenoyl]-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
|---|---|
| Synonyms |
Picras-3-en-21-oic acid, 15-[(3E)-5-(acetyloxy)-4,5-dimethyl-1,2-dioxo-3-hexen-1-yl]-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,8ξ,11β,12α,15β)-
Bruceanol C Methyl (1β,8ξ,11β,12α,15β)-15-[(3E)-5-acetoxy-4,5-dimethyl-2-oxo-3-hexenoyl]-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
| Density | 1.43g/cm3 |
|---|---|
| Boiling Point | 815.9ºC at 760mmHg |
| Molecular Formula | C31H38O13 |
| Molecular Weight | 618.62600 |
| Flash Point | 261.7ºC |
| Exact Mass | 618.23100 |
| PSA | 200.03000 |
| LogP | 0.57 |
| Vapour Pressure | 7.8E-31mmHg at 25°C |
| Index of Refraction | 1.597 |