HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 88415331Generated: October 27, 2026
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13bR)-benzyl 5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-(trifluoromethylsulfonyloxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
https://huagongshe.com/en/chemical/88415331
Identifiers & Physical Properties
| Molecular formula | C38H51F3O5S |
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| Average molar mass | 676.9 g/mol |
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| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC=C(OS(=O)(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
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| InChIKey | LONIAVLTQYVYQE-CJXNXFQFSA-N |
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| PubChem CID | 88415331 |
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Chemical & Physical Properties
| XLogP | 11.5 |
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| Topological polar surface area | 78.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 47 |
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| Formal charge | 0 |
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| Complexity | 1,410 |
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![(1R,3aS,5aR,5bR,7aR,11aR,11bR,13bR)-benzyl 5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-(trifluoromethylsulfonyloxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate molecular structure](/img/chemical/88415331.png)