(13aRS)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one
Chemical Structure Depiction of
(13aRS)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one
(13aRS)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one
Compound characteristics
| Compound ID: | N017-0021 |
| Compound Name: | (13aRS)-6b-acetyl-13a-hydroxy-4a,6a,13-trimethylicosahydro-2H-indeno[2,1-a]phenanthren-2-one |
| Molecular Weight: | 400.6 |
| Molecular Formula: | C26 H40 O3 |
| Smiles: | CC1CC2C3CC4CCCCC4(C(C)=O)C3(C)CCC2C2(C)CCC(C[C@]12O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2805 |
| logD: | 4.2805 |
| logSw: | -4.9947 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.567 |
| InChI Key: | YYJQALYDDZZWSF-UHFFFAOYSA-N |