| CAS Number | 2000-66-0 |
| Catalog Number | AG00BV25(AGN-PC-0O6Z7H) |
| Chemical Name | 17α-Pregn-4-ene-3,20-dione |
| IUPAC Name | (8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21+/m0/s1 |
| InChI Key | RJKFOVLPORLFTN-HXIANDDZSA-N |
| MDL Number | MFCD16619281 |
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.4617 |
| SMILES | C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@H](C(C)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H] |
| Synonyms | Isoprogesterone,
SCHEMBL9120521,
NCGC00090798-03,
2000-66-0,
progesterone,
CID1201516,
|
| Complexity | 589 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.469g/mol |
| Monoisotopic Mass | 314.225g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number