HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775804Generated: November 4, 2026
methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(dimethylamino)ethylcarbamoyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate
https://huagongshe.com/en/chemical/67775804
Identifiers & Physical Properties
| Molecular formula | C42H62N2O3 |
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| Average molar mass | 643 g/mol |
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| Monoisotopic mass | 642.47604384 g/mol |
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| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)NCCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| InChIKey | QTXGJYFUDFXBBZ-WECSNRJHSA-N |
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| PubChem CID | 67775804 |
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Chemical & Physical Properties
| XLogP | 10 |
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| Topological polar surface area | 58.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 47 |
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| Formal charge | 0 |
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| Complexity | 1,280 |
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![methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(dimethylamino)ethylcarbamoyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate molecular structure](/img/chemical/67775804.png)