2-[rel-(4aR,5aS,9R,9aS,11bR)-9-hydroxy-9a,11b-dimethyltetradecahydro-1H-spiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-2,2'-[1,3]dioxolan]-9-yl]-2-oxoethyl acetate
Chemical Structure Depiction of
2-[rel-(4aR,5aS,9R,9aS,11bR)-9-hydroxy-9a,11b-dimethyltetradecahydro-1H-spiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-2,2'-[1,3]dioxolan]-9-yl]-2-oxoethyl acetate
2-[rel-(4aR,5aS,9R,9aS,11bR)-9-hydroxy-9a,11b-dimethyltetradecahydro-1H-spiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-2,2'-[1,3]dioxolan]-9-yl]-2-oxoethyl acetate
Compound characteristics
| Compound ID: | 8004-6659 |
| Compound Name: | 2-[rel-(4aR,5aS,9R,9aS,11bR)-9-hydroxy-9a,11b-dimethyltetradecahydro-1H-spiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-2,2'-[1,3]dioxolan]-9-yl]-2-oxoethyl acetate |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C25 H36 O7 |
| Smiles: | CC(=O)OCC([C@]1(CCC2C3C[C@H]4[C@]5(CCC6(C[C@]5(C)C3CC[C@]12C)OCCO6)O4)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9253 |
| logD: | 2.9253 |
| logSw: | -4.4012 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.158 |
| InChI Key: | CBVIEVGPVMSOTN-SRVWPMDPSA-N |