HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 6436282Generated: November 1, 2026
methyl (1R,11S,12Z,17S)-12-ethylidene-4-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
https://huagongshe.com/en/chemical/6436282
Identifiers & Physical Properties
| CAS No. | 27160-72-1 |
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| Molecular formula | C20H22N2O3 |
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| Average molar mass | 338.4 g/mol |
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| Monoisotopic mass | 338.16304257 g/mol |
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| SMILES | C/C=C1\CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccc(O)cc14 |
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| InChIKey | BVYFBTHLXBZJTR-DQRCLVLDSA-N |
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| PubChem CID | 6436282 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 61.8 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 684 |
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![methyl (1R,11S,12Z,17S)-12-ethylidene-4-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate molecular structure](/img/chemical/6436282.png)