HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67775347Generated: November 4, 2026
4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-((3-carboxypropyl)(ethyl)amino)propylcarbamoyl)-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]chrysen-9-yl)benzoic acid
https://huagongshe.com/en/chemical/67775347
Identifiers & Physical Properties
| Molecular formula | C46H68N2O5 |
|---|
| Average molar mass | 729 g/mol |
|---|
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)NCC(C)N(CC)CCCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
|---|
| InChIKey | NYWDTLJWHWMDER-IJYPWGGBSA-N |
|---|
| PubChem CID | 67775347 |
|---|
Chemical & Physical Properties
| XLogP | 8 |
|---|
| Topological polar surface area | 107 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 12 |
|---|
| Heavy atoms | 53 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,460 |
|---|
![4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-((3-carboxypropyl)(ethyl)amino)propylcarbamoyl)-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]chrysen-9-yl)benzoic acid molecular structure](/img/chemical/67775347.png)