| CAS Number | 109183-56-4 |
| Catalog Number | AG008X2A(AGN-PC-0OZ9ZO) |
| Chemical Name | 21-Acetyloxy Deschloromometasone Furoate 9,11-Epoxide |
| IUPAC Name | [(1S,2S,10S,11S,13R,14R,15S,17S)-14-(2-acetyloxyacetyl)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl] furan-2-carboxylate |
| InChI | InChI=1S/C29H32O8/c1-16-12-21-20-8-7-18-13-19(31)9-10-26(18,3)29(20)24(36-29)14-27(21,4)28(16,23(32)15-35-17(2)30)37-25(33)22-6-5-11-34-22/h5-6,9-11,13,16,20-21,24H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,24+,26+,27+,28+,29-/m1/s1 |
| InChI Key | CDZQRBDOYZIPLG-KXXHKONZSA-N |
| MDL Number | MFCD28143241 |
| Molecular Formula | C29H32O8 |
| Molecular Weight | 508.5596 |
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(OC(=O)c6occc6)C(=O)COC(=O)C |
| Synonyms | 21-Acetyloxy Deschloromometasone Furoate 9,11-Epoxide,
109183-56-4,
|
| Complexity | 1140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 508.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 508.567g/mol |
| Monoisotopic Mass | 508.21g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number