| CAS Number | 80163-83-3 |
| Catalog Number | AG00G4TM(AGN-PC-0WH3S8) |
| Chemical Name | 1,2-Dihydro-Betamethasone 17,21-Dipropionate |
| IUPAC Name | [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate |
| InChI | InChI=1S/C28H39FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h13,16,19-21,31H,6-12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 |
| InChI Key | AGBWCRIMOWZLGL-XYWKZLDCSA-N |
| MDL Number | MFCD31561959 |
| Molecular Formula | C28H39FO7 |
| Molecular Weight | 506.6035 |
| SMILES | CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |
| Synonyms | 1,2-Dihydro-Betamethasone 17,21-Dipropionate,
80163-83-3,
SCHEMBL13653181,
AGBWCRIMOWZLGL-XYWKZLDCSA-N,
|
| Complexity | 1010 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 506.268g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 506.611g/mol |
| Monoisotopic Mass | 506.268g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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