HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 56776216Generated: October 30, 2026
(2R,7S,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0(2),.0(2),(1).0(1),(1).0(1),(2)]docosan-11-yl acetate
https://huagongshe.com/en/chemical/56776216
Identifiers & Physical Properties
| CAS No. | 115458-72-5 |
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| Molecular formula | C28H32O10 |
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| Average molar mass | 528.5 g/mol |
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| Monoisotopic mass | 528.19954721 g/mol |
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| SMILES | CC(=O)OC1C(=O)[C@]2(C)C(CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]432)[C@@]23COC(=O)C[C@@H]2OC(C)(C)C13 |
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| InChIKey | IHOHGVDNDQTZGL-SHOHFCBWSA-N |
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| PubChem CID | 56776216 |
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| DTXSID | DTXSID301347727 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 131 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 1,150 |
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![(2R,7S,13R,14R,16S,19R,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-5,12,17-trioxo-4,8,15,18-tetraoxahexacyclo[11.9.0.0(2),.0(2),(1).0(1),(1).0(1),(2)]docosan-11-yl acetate molecular structure](/img/chemical/56776216.png)