[(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate
Modify Date: 2025-10-11 09:00:08
![[(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate Structure](https://image.chemsrc.com/caspic/464/131086-64-1.png)
[(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate structure
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Common Name | [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate | ||
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| CAS Number | 131086-64-1 | Molecular Weight | 536.61100 | |
| Density | 1.28g/cm3 | Boiling Point | 612.1ºC at 760mmHg | |
| Molecular Formula | C28H40O10 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 193.9ºC | |
| Name | [(2S,3R,4aR,5S,6R,8S,8aR)-5-[(3aS,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate |
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| Synonym | More Synonyms |
| Density | 1.28g/cm3 |
|---|---|
| Boiling Point | 612.1ºC at 760mmHg |
| Molecular Formula | C28H40O10 |
| Molecular Weight | 536.61100 |
| Flash Point | 193.9ºC |
| Exact Mass | 536.26200 |
| PSA | 130.12000 |
| LogP | 2.50640 |
| Vapour Pressure | 1.54E-17mmHg at 25°C |
| Index of Refraction | 1.553 |
| InChIKey | MZEYOXXDMOFRMK-GUXDWVPKSA-N |
| SMILES | CC(=O)OCC12C(OC(C)=O)CC(C)C(C)(C3CC4C=COC4O3)C1CC(O)C(OC(=O)C(C)C)C21CO1 |
| ajugachin A |
| Agrimonolide-6-O-glucopyranoside |