HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775281Generated: November 4, 2026
4-((1S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a-(2-carboxyethylcarbamoyl)-1-isopropyl-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid
https://huagongshe.com/en/chemical/67775281
Identifiers & Physical Properties
| Molecular formula | C40H59NO5 |
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| Average molar mass | 633.9 g/mol |
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| Monoisotopic mass | 633.43932398 g/mol |
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| SMILES | CC(C)[C@@H]1CC[C@]2(C(=O)NCCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| InChIKey | IYXWIGIBQRBZEA-AYHXPHCKSA-N |
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| PubChem CID | 67775281 |
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Chemical & Physical Properties
| XLogP | 9.8 |
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| Topological polar surface area | 104 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 46 |
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| Formal charge | 0 |
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| Complexity | 1,200 |
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![4-((1S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a-(2-carboxyethylcarbamoyl)-1-isopropyl-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysen-9-yl)benzoic acid molecular structure](/img/chemical/67775281.png)