secaubryenol structure
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Common Name | secaubryenol | ||
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| CAS Number | 925932-08-7 | Molecular Weight | 456.700 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 569.2±23.0 °C at 760 mmHg | |
| Molecular Formula | C30H48O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 312.1±19.1 °C | |
Use of secaubryenolSecaubryenol is a class of 3,4-secocycloartane triterpenes isolated from Coussarea macrophylla. Secaubryenol does not display any cytotoxic effect at a dose of 10 µg/mL[1][2][3]. |
| Name | 3-[(1R,3aS,3bS,6R,6aR,7aS,9aR)-6-(3-Hydroxy-1-propen-2-yl)-3a,9a- dimethyl-1-[(2R)-6-methyl-5-hepten-2-yl]decahydro-1H-cyclopenta[a ]cyclopropa[e]naphthalen-6a(7H)-yl]propanoic acid |
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| Synonym | More Synonyms |
| Description | Secaubryenol is a class of 3,4-secocycloartane triterpenes isolated from Coussarea macrophylla. Secaubryenol does not display any cytotoxic effect at a dose of 10 µg/mL[1][2][3]. |
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| Related Catalog | |
| In Vitro | Secaubryenol exhibits IC50 value over 100 µM against tumor cell lines (MCF-7 (breast cancer cells, ER (estrogen receptor) positive), MDA (breast cancer cells, ER negative), PC-3 (prostate cancer cells), and HeLa (cervical cancer cells))[1]. |
| References |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 569.2±23.0 °C at 760 mmHg |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.700 |
| Flash Point | 312.1±19.1 °C |
| Exact Mass | 456.360352 |
| PSA | 57.53000 |
| LogP | 9.10 |
| Vapour Pressure | 0.0±3.5 mmHg at 25°C |
| Index of Refraction | 1.544 |
| InChIKey | JFCYFLMAPFEZKC-NOYWNEFKSA-N |
| SMILES | C=C(CO)C1CCC2C3(C)CCC(C(C)CCC=C(C)C)C3(C)CCC23CC13CCC(=O)O |
| Hazard Codes | Xi |
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| 3-[(1R,3aS,3bS,6R,6aR,7aS,9aR)-6-(3-Hydroxy-1-propen-2-yl)-3a,9a-dimethyl-1-[(2R)-6-methyl-5-hepten-2-yl]decahydro-1H-cyclopenta[a]cyclopropa[e]naphthalen-6a(7H)-yl]propanoic acid |
| 1H-Cyclopenta[a]cyclopropa[e]naphthalene-6a(7H)-propanoic acid, 1-[(1R)-1,5-dimethyl-4-hexen-1-yl]decahydro-6-[1-(hydroxymethyl)ethenyl]-3a,9a-dimethyl-, (1R,3aS,3bS,6R,6aR,7aS,9aR)- |