HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 282913Generated: October 30, 2026
8-Acetyl-9-chloro-8-hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3h)-one
https://huagongshe.com/en/chemical/282913
Identifiers & Physical Properties
| CAS No. | 30122-76-0 |
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| Molecular formula | C21H30ClNO3 |
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| Average molar mass | 379.9 g/mol |
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| Monoisotopic mass | 379.1914215 g/mol |
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| SMILES | CC(=O)C1(O)C(Cl)CC2C3CCC4=CC(=O)NCCC4(C)C3CCC21C |
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| InChIKey | VFSUUZSWABAXDK-UHFFFAOYSA-N |
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| PubChem CID | 282913 |
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| DTXSID | DTXSID70300443 |
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Chemical & Physical Properties
| XLogP | 2.7 |
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| Topological polar surface area | 66.4 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 691 |
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![8-Acetyl-9-chloro-8-hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(3h)-one molecular structure](/img/chemical/282913.png)