HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 23286133Generated: November 4, 2026
8a-[(4-hydroxybut-2-yn-1-yl-oxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylate
https://huagongshe.com/en/chemical/23286133
Identifiers & Physical Properties
| Molecular formula | C24H31O5- |
|---|
| Average molar mass | 399.5 g/mol |
|---|
| Monoisotopic mass | 399.21714909 g/mol |
|---|
| SMILES | CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(COCC#CCO)C13C(=O)[O-] |
|---|
| InChIKey | ZULRXZAIUNZASS-UHFFFAOYSA-M |
|---|
| PubChem CID | 23286133 |
|---|
Chemical & Physical Properties
| XLogP | 2.6 |
|---|
| Topological polar surface area | 86.7 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 5 |
|---|
| Heavy atoms | 29 |
|---|
| Formal charge | -1 |
|---|
| Complexity | 810 |
|---|
![8a-[(4-hydroxybut-2-yn-1-yl-oxy)methyl]-4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-7-methyl-3-(1-methylethyl)-1,4-methano-s-indacene-3a(1H)-carboxylate molecular structure](/img/chemical/23286133.png)