122587-85-3
122587-85-3 structure
- Name: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
- Chemical Name: [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate
- CAS Number: 122587-85-3
- Molecular Formula: C25H38O7
- Molecular Weight: 450.56500
- Create Date: 2017-08-12 23:06:18
- Modify Date: 2024-01-02 22:35:23
| Name | [(1S)-2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate |
|---|---|
| Synonyms |
Ajugamarin F 1
Butanoic acid,2-methyl-,1-(2,5-dihydro-5-oxo-3-furanyl)-2-(octahydro-8-hydroxy-8a-(hydroxymethyl)-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-5-yl)ethyl ester,(1R-(1alpha,4abeta,5beta(S*(S*)),6alpha,8alpha,8aalpha)) |
| Density | 1.22g/cm3 |
|---|---|
| Boiling Point | 618.1ºC at 760 mmHg |
| Molecular Formula | C25H38O7 |
| Molecular Weight | 450.56500 |
| Flash Point | 204.8ºC |
| Exact Mass | 450.26200 |
| PSA | 105.59000 |
| LogP | 2.77240 |
| Vapour Pressure | 7.31E-18mmHg at 25°C |
| Index of Refraction | 1.554 |
| Precursor 0 | |
|---|---|
| DownStream 3 | |
![[(1S)-2-[(1S,2R,4S,4aR,8aR)-4-acetyloxy-4a-(hydroxymethyl)-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate structure](https://image.chemsrc.com/caspic/302/123297-97-2.png)
![[(1S)-2-[(1S,2R,4S,4aR,8aR)-4a-(acetyloxymethyl)-4-hydroxy-1,2-dimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] (2S)-2-methylbutanoate structure](https://image.chemsrc.com/caspic/264/123297-98-3.png)
