HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178965713Generated: November 3, 2026
[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (Z)-hexadec-9-enoate
https://huagongshe.com/en/chemical/178965713
Identifiers & Physical Properties
| Molecular formula | C46H76O4 |
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| Average molar mass | 693.1 g/mol |
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| Monoisotopic mass | 692.57436091 g/mol |
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| SMILES | CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C |
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| InChIKey | BXYNEYPWFPXGOD-SNCGOSNLSA-N |
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Chemical & Physical Properties
| XLogP | 13.5 |
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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 | 16 |
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| Heavy atoms | 50 |
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| Formal charge | 0 |
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| Complexity | 1,260 |
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![[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl] (Z)-hexadec-9-enoate molecular structure](/img/chemical/178965713.png)