4,4'-[rel-(13xi,17xi,18xi)-5xi,9xi-lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoic acid)
Chemical Structure Depiction of
4,4'-[rel-(13xi,17xi,18xi)-5xi,9xi-lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoic acid)
4,4'-[rel-(13xi,17xi,18xi)-5xi,9xi-lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoic acid)
Compound characteristics
| Compound ID: | N064-0007 |
| Compound Name: | 4,4'-[rel-(13xi,17xi,18xi)-5xi,9xi-lup-20(29)-ene-3,28-diylbis(oxy)]bis(4-oxobutanoic acid) |
| Molecular Weight: | 642.88 |
| Molecular Formula: | C38 H58 O8 |
| Smiles: | CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC([C@@](C)(C)C5CC[C@@]34C)OC(CCC(O)=O)=O)C12)COC(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4784 |
| logD: | 3.2086 |
| logSw: | -5.8729 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.292 |
| InChI Key: | KVBSNHACBJJCBD-IPASLAIDSA-N |