bruceanic acid C
Modify Date: 2025-09-21 14:56:52
bruceanic acid C structure
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Common Name | bruceanic acid C | ||
|---|---|---|---|---|
| CAS Number | 132587-60-1 | Molecular Weight | 610.604 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 748.7±60.0 °C at 760 mmHg | |
| Molecular Formula | C29H38O14 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 238.9±26.4 °C | |
| Name | Methyl (2R,3S,6S,8S,9S,10R,11S,12R,13S)-3-{[(2E)-4-acetoxy-3,4-dimethyl-2-pentenoyl]oxy}-8-acetyl-11,12-dihydroxy-9-(2-methoxy-2-oxoethyl)-4-oxo-5,14-dioxatetracyclo[8.5.0.01,6.02,13]pentadecane-13-carboxylate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 748.7±60.0 °C at 760 mmHg |
| Molecular Formula | C29H38O14 |
| Molecular Weight | 610.604 |
| Flash Point | 238.9±26.4 °C |
| Exact Mass | 610.226135 |
| PSA | 198.26000 |
| LogP | 1.79 |
| Vapour Pressure | 0.0±5.7 mmHg at 25°C |
| Index of Refraction | 1.561 |
| InChIKey | OHZFUWABZIZYPL-XYOKQWHBSA-N |
| SMILES | COC(=O)CC1C(C(C)=O)CC2OC(=O)C(OC(=O)C=C(C)C(C)(C)OC(C)=O)C3C4(C(=O)OC)OCC23C1C(O)C4O |
| 2H-4,9b-(Epoxymethano)naphtho[1,8-bc]pyran-7-acetic acid, 8-acetyl-3-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]decahydro-5,6-dihydroxy-4-(methoxycarbonyl)-2-oxo-, methyl ester, (3S,3aR,4S,5R,6S,6aR,7S,8S,9aS)- |
| Methyl (2R,3S,6S,8S,9S,10R,11S,12R,13S)-3-{[(2E)-4-acetoxy-3,4-dimethyl-2-pentenoyl]oxy}-8-acetyl-11,12-dihydroxy-9-(2-methoxy-2-oxoethyl)-4-oxo-5,14-dioxatetracyclo[8.5.0.0.0]pentadecane-1 3-carboxylate |