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| IUPAC Name: | [2-oxo-2-[(8S,9S,10R,11S,13S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate |
| Description: | (11b,16a)-21-(Acetyloxy)-11,16,17-trihydroxypregna-1,4,14-triene-3,20-dione is an intermediate in the synthesis of Budesonide (B689490) related derivatives. |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C23H28O7 |
| Canonical SMILES: | CC(=O)OCC(=O)C1(C(C=C2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O)O |
| InChI: | InChI=1S/C23H28O7/c1-12(24)30-11-19(28)23(29)18(27)9-16-15-5-4-13-8-14(25)6-7-21(13,2)20(15)17(26)10-22(16,23)3/h6-9,15,17-18,20,26-27,29H,4-5,10-11H2,1-3H3/t15-,17+,18-,20-,21+,22+,23+/m1/s1 |
| InChI Key: | JDZQPNMMHWBKCV-MHHBXEMFSA-N |
| Melting Point: | >213°C (dec.) |
| Solubility: | Chloroform (Slightly, Heated), DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Beige Solid |
| Storage: | 4°C |
| References: | Forgacs, E., et al. Anal. Lett., 37, 1897 (2004). |
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