HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775165Generated: October 26, 2026
(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-(4-boronophenyl)-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]chrysene-3a-carboxylic acid
https://huagongshe.com/en/chemical/67775165
Identifiers & Physical Properties
| Molecular formula | C36H51BO4 |
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| Average molar mass | 558.6 g/mol |
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| Monoisotopic mass | 558.3880403 g/mol |
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| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(B(O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| InChIKey | HBWPENHCDUTFLS-PDVPNEPJSA-N |
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| PubChem CID | 67775165 |
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Chemical & Physical Properties
| Topological polar surface area | 77.8 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 41 |
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| Formal charge | 0 |
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| Complexity | 1,120 |
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![(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-9-(4-boronophenyl)-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]chrysene-3a-carboxylic acid molecular structure](/img/chemical/67775165.png)