[(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
Modify Date: 2024-04-05 09:38:26
![[(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)
[(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
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Common Name | [(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 | ||
|---|---|---|---|---|
| CAS Number | 123297-98-3 | Molecular Weight | 492.60200 | |
| Density | 1.21g/cm3 | Boiling Point | 621.2ºC at 760mmHg | |
| Molecular Formula | C27H40O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 200.3ºC | |
| Name | [(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 |
|---|---|
| Synonym | More Synonyms |
| Density | 1.21g/cm3 |
|---|---|
| Boiling Point | 621.2ºC at 760mmHg |
| Molecular Formula | C27H40O8 |
| Molecular Weight | 492.60200 |
| Flash Point | 200.3ºC |
| Exact Mass | 492.27200 |
| PSA | 111.66000 |
| LogP | 3.34320 |
| Vapour Pressure | 4.95E-18mmHg at 25°C |
| Index of Refraction | 1.541 |
![[(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 structure](https://image.chemsrc.com/caspic/285/122587-85-3.png)
![[(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)
| Precursor 2 | |
|---|---|
| DownStream 0 | |
| Ajugamarin F 1 |
| ajugamarin F3 |
| ajugamarin F2 |
| 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)) |