rel-(4R,4aS,6aR,8Z,9S,11bS)-8-(hydroxyimino)-4,9-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
Chemical Structure Depiction of
rel-(4R,4aS,6aR,8Z,9S,11bS)-8-(hydroxyimino)-4,9-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
rel-(4R,4aS,6aR,8Z,9S,11bS)-8-(hydroxyimino)-4,9-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
Compound characteristics
| Compound ID: | N045-0003 |
| Compound Name: | rel-(4R,4aS,6aR,8Z,9S,11bS)-8-(hydroxyimino)-4,9-dimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid |
| Molecular Weight: | 319.44 |
| Molecular Formula: | C19 H29 N O3 |
| Smiles: | [H][C@]12CCC[C@@](C)(C(O)=O)[C@@]2([H])CC[C@]23C/C([C@@](C)(CCC13)C2)=N/O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9582 |
| logD: | 0.6653 |
| logSw: | -3.9982 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.173 |
| InChI Key: | URBNUDAKGSSGTA-GCSASXRQSA-N |