HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775516Generated: October 26, 2026
(1S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-1-isopropyl-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
https://huagongshe.com/en/chemical/67775516
Identifiers & Physical Properties
| Molecular formula | C38H56O4 |
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| Average molar mass | 576.8 g/mol |
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| Monoisotopic mass | 576.41786026 g/mol |
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| SMILES | COC(=O)c1ccc([C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@H]6[C@H](C(C)C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1 |
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| InChIKey | AOVNSOUBJBEOEL-CCNIEAMXSA-N |
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| PubChem CID | 67775516 |
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Chemical & Physical Properties
| XLogP | 10.9 |
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| Topological polar surface area | 63.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 42 |
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| Formal charge | 0 |
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| Complexity | 1,070 |
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![(1S,3aS,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-1-isopropyl-9-(4-(methoxycarbonyl)phenyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid molecular structure](/img/chemical/67775516.png)