Identifiers & Physical Properties
| CAS No. | 64144-49-6 |
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| Molecular formula | C46H80O2 |
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| Average molar mass | 665.1 g/mol |
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| Monoisotopic mass | 664.61583179 g/mol |
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| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 |
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| InChIKey | PBJGXWXGARTUCF-TVTZIXCTSA-N |
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| PubChem CID | 69167708 |
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| DTXSID | DTXSID501315986 |
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Chemical & Physical Properties
| XLogP | 16.8 |
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| Topological polar surface area | 26.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 22 |
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| Heavy atoms | 48 |
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| Formal charge | 0 |
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| Complexity | 1,010 |
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| Lipids | Lipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Steryl esters [ST0102] |
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