3,20-dihydroxycevan-6-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3,20-dihydroxycevan-6-one--hydrogen chloride (1/1)
3,20-dihydroxycevan-6-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | N060-0109 |
| Compound Name: | 3,20-dihydroxycevan-6-one--hydrogen chloride (1/1) |
| Molecular Weight: | 466.1 |
| Molecular Formula: | C27 H43 N O3 |
| Salt: | HCl |
| Smiles: | [H][C@]12CC([C@@]3([H])C[C@H](CC[C@]3(C)[C@@]2([H])C[C@]2([H])[C@@]1([H])CC[C@]1([H])[C@@]2([H])CN2C[C@@H](C)CC[C@@]2([H])[C@@]1(C)O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0716 |
| logD: | 3.6346 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.693 |
| InChI Key: | IQDIERHFZVCNRZ-LRCDAWNTSA-N |