bruceanic acid D
Modify Date: 2025-11-25 11:38:53
bruceanic acid D structure
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Common Name | bruceanic acid D | ||
|---|---|---|---|---|
| CAS Number | 132587-61-2 | Molecular Weight | 568.56700 | |
| Density | 1.41g/cm3 | Boiling Point | 737.2ºC at 760mmHg | |
| Molecular Formula | C27H36O13 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 240.1ºC | |
| Name | Methyl (11S,12R,13S)-8-acetyl-11,12-dihydroxy-3-{[(2E)-4-hydroxy-3,4-dimethyl-2-pentenoyl]oxy}-9-(2-methoxy-2-oxoethyl)-4-oxo-5,14-dioxatetracyclo[8.5.0.01,6.02,13]pentadecane-13-carboxylate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.41g/cm3 |
|---|---|
| Boiling Point | 737.2ºC at 760mmHg |
| Molecular Formula | C27H36O13 |
| Molecular Weight | 568.56700 |
| Flash Point | 240.1ºC |
| Exact Mass | 568.21600 |
| PSA | 192.19000 |
| LogP | 0.97 |
| Vapour Pressure | 4.35E-25mmHg at 25°C |
| Index of Refraction | 1.574 |
| InChIKey | FKCBKHBQLCJMBJ-USLLDNLKSA-N |
| SMILES | COC(=O)CC1C(C(C)=O)CC2OC(=O)C(OC(=O)C=C(C)C(C)(C)O)C3C4(C(=O)OC)OCC23C1C(O)C4O |
| Methyl (11S,12R,13S)-8-acetyl-11,12-dihydroxy-3-{[(2E)-4-hydroxy-3,4-dimethyl-2-pentenoyl]oxy}-9-(2-methoxy-2-oxoethyl)-4-oxo-5,14-dioxatetracyclo[8.5.0.0.0]pentadecane-13-carboxylate |
| 2H-4,9b-(Epoxymethano)naphtho[1,8-bc]pyran-7-acetic acid, 8-acetyldecahydro-5,6-dihydroxy-3-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-4-(methoxycarbonyl)-2-oxo-, methyl ester, (4S,5R,6S)- |