7-O-Acetylbonducellpin C
Modify Date: 2025-08-25 11:26:10
7-O-Acetylbonducellpin C structure
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Common Name | 7-O-Acetylbonducellpin C | ||
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| CAS Number | 197781-86-5 | Molecular Weight | 462.533 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 520.0±50.0 °C at 760 mmHg | |
| Molecular Formula | C25H34O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 268.3±30.1 °C | |
Use of 7-O-Acetylbonducellpin C7-Acetoxybonducellpin C, a diterpenoid, is a nature product that could be isolated from the seed kernels of Caesalpinia crista. 7-Acetoxybonducellpin C has antimalarial activity[1]. |
| Name | (1S,4aR,6S,6aR,7S,11aS,11bS)-4a-hydroxy-7-(methoxycarbonyl)-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,6-diyl diacetate |
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| Synonym | More Synonyms |
| Description | 7-Acetoxybonducellpin C, a diterpenoid, is a nature product that could be isolated from the seed kernels of Caesalpinia crista. 7-Acetoxybonducellpin C has antimalarial activity[1]. |
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| Related Catalog | |
| In Vitro | 7-Acetoxybonducellpin C (90 nM-6.5 µM) 对疟原虫具有抗疟活性，其 IC50 值为 0.6 µM[1]。 |
| References |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 520.0±50.0 °C at 760 mmHg |
| Molecular Formula | C25H34O8 |
| Molecular Weight | 462.533 |
| Flash Point | 268.3±30.1 °C |
| Exact Mass | 462.225372 |
| PSA | 112.27000 |
| LogP | 3.00 |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.550 |
| InChIKey | VWWBNOKRESJKKB-QKLQQXTASA-N |
| SMILES | COC(=O)C1c2ccoc2CC2C1C(OC(C)=O)CC1(O)C(C)(C)CCC(OC(C)=O)C21C |
| Hazard Codes | Xi |
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| Methyl (1S,4aR,6S,6aR,7S,11aS,11bS)-1,6-diacetoxy-4a-hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-7-carboxylate |
| Phenanthro[3,2-b]furan-7-carboxylic acid, 1,6-bis(acetyloxy)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4a-hydroxy-4,4,11b-trimethyl-, methyl ester, (1S,4aR,6S,6aR,7S,11aS,11bS)- |