HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1R,3As,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-1-carboxylic acid
29,30-Dinorlupan-20-oic acid, 28-[(10-carboxydecyl)amino]-3-hydroxy-28 -oxo-, (3beta.)-
![(1R,3As,5aR,5bR,7aR,9S,11aR,11bR,13bS)-3a-(10-carboxydecylcarbamoyl)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-1-carboxylic acid molecular structure](/img/chemical/463527.png)
Identifiers & Physical Properties
| CAS No. | 173106-27-9 |
|---|---|
| Molecular formula | C39H65NO6 |
| Average molar mass | 643.9 g/mol |
| Monoisotopic mass | 643.48118879 g/mol |
| SMILES | CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CCC4[C@H]5[C@H](C(=O)O)CC[C@]5(C(=O)NCCCCCCCCCCC(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
| InChIKey | PZCVVCQRVOZVAJ-SHBZPGRUSA-N |
| PubChem CID | 463527 |
| DTXSID | DTXSID60938310 |
Chemical & Physical Properties
| XLogP | 9.1 |
|---|---|
| Topological polar surface area | 124 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 13 |
| Heavy atoms | 46 |
| Formal charge | 0 |
| Complexity | 1,140 |