Dihydroajugapitin
Modify Date: 2025-08-24 22:04:55
Dihydroajugapitin structure
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Common Name | Dihydroajugapitin | ||
|---|---|---|---|---|
| CAS Number | 87480-84-0 | Molecular Weight | 552.654 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 611.7±55.0 °C at 760 mmHg | |
| Molecular Formula | C29H44O10 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 190.4±25.0 °C | |
| Name | (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-5-[(2S,3 aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3-hydroxy-5,6-dimethyloct ahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2S)-2-methylbutano ate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 611.7±55.0 °C at 760 mmHg |
| Molecular Formula | C29H44O10 |
| Molecular Weight | 552.654 |
| Flash Point | 190.4±25.0 °C |
| Exact Mass | 552.293457 |
| PSA | 130.12000 |
| LogP | 1.48 |
| Vapour Pressure | 0.0±4.0 mmHg at 25°C |
| Index of Refraction | 1.542 |
| InChIKey | XMVULWKEVGKECE-DBNYLVSFSA-N |
| SMILES | CCC(C)C(=O)OC1C(O)CC2C(C)(C3CC4CCOC4O3)C(C)CC(OC(C)=O)C2(COC(C)=O)C12CO2 |
| Hazard Codes | Xi |
|---|
| (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl (2S)-2-methylbutanoate |
| (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-Acetoxy-8a-(acetoxymethyl)-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-3-hydroxy-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylbutanoate |
| Butanoic acid, 2-methyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]octahydro-3-hydroxy-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-2-yl ester |
| 14,15-dihydroajugapitin |
| Butanoic acid, 2-methyl-, (1R,2S,3R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(2S,3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]octahydro-3-hydroxy-5,6-dimethylspiro[naphthalene-1(2H),2'-oxiran]-2-yl ester, (2S)- |