| CAS Number | 65556-92-5 |
| Catalog Number | AG01EH8N(AGN-PC-0OFBHR) |
| Chemical Name | 3-alfa-Acetyloxypregnan-20-one |
| IUPAC Name | [(8R,9R,10S,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| InChI | InChI=1S/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H3/t16?,17?,18-,19?,20-,21+,22-,23+/m0/s1 |
| InChI Key | GFHOQCXDABGYAL-HZOKWUTCSA-N |
| MDL Number | MFCD32012126 |
| Molecular Formula | C23H36O3 |
| Molecular Weight | 360.5301 |
| SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C |
| Synonyms | (2S,7S,15S)-14-Acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl acetate,
65556-92-5,
|
| Complexity | 598 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.266g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.538g/mol |
| Monoisotopic Mass | 360.266g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number