rel-(9xi,10xi,13xi,17xi)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
Chemical Structure Depiction of
rel-(9xi,10xi,13xi,17xi)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
rel-(9xi,10xi,13xi,17xi)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one
Compound characteristics
| Compound ID: | N029-0001 |
| Compound Name: | rel-(9xi,10xi,13xi,17xi)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one |
| Molecular Weight: | 480.64 |
| Molecular Formula: | C27 H44 O7 |
| Smiles: | CC12CC(C(CC2C(C=C2C1CCC1(C)C(CC[C@]12O)[C@](C)([C@@H](CCC(C)(C)O)O)O)=O)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7004 |
| logD: | 0.7004 |
| logSw: | -1.5312 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 107.683 |
| InChI Key: | NKDFYOWSKOHCCO-MFLPRDGHSA-N |