3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate
[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate
Also Known As: 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 21-acrylate, 3,19-diacetate|3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate|(14beta,17R)-3beta,5beta,14,19,21-Pentahydroxypregnan-20-one 21-acrylate 3,19-diacetate|[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate|2-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-7-(acetyloxy)-9a-[(acetyloxy)methyl]-3a,5a-dihydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl prop-2-enoate|3beta,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxo-5beta,14beta,17alpha-pregnan-21-yl prop-2-enoate|Pregnan-20-one, 3,19-bis(acetyloxy)-5,14-dihydroxy-21-[(1-oxo-2-propenyl)oxy]-, (3.beta.,5.beta.,14.beta.,17.alpha.)-
| Molecular Formula | C28H40O9 |
|---|---|
| Molecular Weight | 520.2672 g/mol |
| LogP | 2.6483 |
| Topological Polar Surface Area | 136.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.2672 |
| Monoisotopic Mass | 520.2672 |
| Heavy Atoms | 37 |
| Complexity | 976.69965 |
Chemical Identifiers
| CAS Number | 67463-05-2 |
|---|---|
| SMILES | CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)C=C)O)C)O)OC(=O)C |
Product Overview
3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate (CAS 67463-05-2), with molecular formula C28H40O9 and molecular weight 520.2672 g/mol. IUPAC: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate.