ESTRADIOL UNDECYLATE
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate
| Molecular Formula | C29H44O3 |
|---|---|
| Molecular Weight | 440.7 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 46.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 440.32904 |
| Heavy Atoms | 32 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 3571-53-7 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C |
| InChIKey | TXHUMRBWIWWBGW-GVGNIZHQSA-N |
📖 Product Overview
ESTRADIOL UNDECYLATE (CAS: 3571-53-7) is a chemical compound with molecular formula C29H44O3 and molecular weight 440.7 g/mol. Its IUPAC systematic name is [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undecanoate.
TXHUMRBWIWWBGW-GVGNIZHQSA-N.
SMILES: CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C.
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